| Molecular | |||
| Dynamics | number 108; August 2000 | ||
| News |
MDN is an informal newsletter of coming attractions and current events in the world of reaction dynamics and associated phenomena. It is produced without profit through the support of its subscribers* and patrons. Please renew your subscription by using the form at the bottom of this page.
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MDN is edited by Prof. Vincenzo
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AQUILA@DYN.UNIPG.IT )
and
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University of California, Santa Cruz, CA 95064,
U.S.A. (electronic mail: ANDERSO@CATS.UCSC.EDU ).
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The Molecular Dynamics community is greatly saddened by the recent
death of Kent Wilson, and we reprint the following story about Kent with
the kind permission of Kim McDonald
( http://ucsdnews.ucsd.edu/newsrel/science/mcwilson.htm ) so that our
readers may be reminded of the remarkable achievements of Kent.
RENOWNED UCSD CHEMISTRY AND BIOCHEMISTRY PROFESSOR KENT R. WILSON DIES ON MARCH 27
Known internationally for his achievements in the molecular dynamics of chemical and biochemical reactions, Professor Wilson was a prominent member of UCSD's faculty who dreamed of uncovering the most exquisite details of chemical reactions and of building the best chemistry department in the world.
"He was a beloved and respected member of the department, the university and the international scientific community," said Katja Lindenberg, a professor of chemistry and biochemistry at UCSD. "Kent touched and enriched many lives and will be sorely missed. His indelible personal and professional mark will long remain stamped on everyone who had the privilege of knowing him."
Professor Wilson's thirst for discovery and new frontiers led to many firsts that have endured the test of time as important contributions in several areas of chemistry. In the late 1960s, he and his research group developed the technique of photofragment spectroscopy that enabled them to probe the unstable states of molecules. In the 1970s, he used laser spectroscopy to unveil the chemistry of atmospheric pollution. In the 1980s, he combined ultrafast laser experiments with computer simulations to develop an understanding of how reactions occur in solution. In the past decade, he led a very ambitious effort to use ultrafast beams of x-rays to probe and control chemistry. The techniques developed by Professor Wilson have had widespread application in fields as diverse as atmospheric pollution, ancient statue dating, chemical reactions in liquids, and the development of pulsed x-ray sources and laser microscopes for use in sophisticated analysis of biological systems.
He was raised in a mostly Quaker community in Bryn Gweled Homesteads, Penn., and his decision to become a scientist was inspired by prominent scientists in his community, by his own mischievous childhood experiments, such as rewiring the town's phone system, and by disassembling and repairing household appliances. His particular interest in chemistry began through a high school fascination with moonshine and fireworks, which he made using surplus World War II equipment.
Professor Wilson received his bachelor's degree in chemistry and physics from Harvard University in 1958 and completed his doctorate in 1964 under the guidance of Harvard Nobel Laureate Dudley Herschbach at the University of California, Berkeley. He shared a lab with a group of graduate students who would all become fellow pioneer laser spectroscopists: Dick Zare, Jim Kinsey, and Yuan Lee. After postdoctoral work at Harvard and the National Bureau of Standards, he joined the UCSD faculty in 1965.
According to members of his department, Wilson brought a love of exploration and learning to his life as a faculty member: He loved the freedom it gave him to be an adventurer and a buccaneer, to explore the unknown, to follow his own unquenchable hunger for knowledge, and to educate and inspire young minds.
He was also one of the most innovative teachers at UCSD. For 30 years, he pioneered the use of visualization technologies to make science more accessible to students of all ages. Many students and postdoctoral researchers at UCSD remember watching Professor Wilson's films in high school. He brought films and other visualization techniques to the classroom when these technologies were in their infancy. Instead of employing professional programmers in this effort, he relied on a hand-picked team of some of the brightest undergraduate students he brought together in a group he dubbed the Senses Bureau. This group of extraordinarily talented undergraduates focused on the multisensual use of computer visualization, sound and touch as tools in research and education. The students did some of the original work on what is now called "virtual reality," and designed and created computer animations that have enhanced the visualization of scientific concepts in the classroom. Some of these students passed up other opportunities and specifically came to UCSD because of his legendary invitation, their first opportunity to experience his formidable talents in the art of persuasion and negotiation.
Professor Wilson's approach to research was unique: He felt that the first key to success in difficult experiments was to search the world for the best young scientists to work in his laboratory. He believed that the second, and perhaps most important, key to success was to facilitate teamwork among his brilliant junior collaborators. He was so proud of his international research team in the 1990s that he referred to them as his Dream Team, alluding to the highly successful U.S. Olympic basketball squad.
Professor Wilson received numerous distinctions during his prolific career. He was a Fellow of the American Physical Society and of the American Association for the Advancement of Science. Perhaps his most enduring legacy lies in the large number of his students and junior associates that went on to outstanding careers and achievements of their own all around the world. His life ended during one of the most productive and exciting periods of his career, which was evidenced by his many publications, especially the recently published work in the journals Science and Nature. His scientific work at UCSD will be continued under the direction of Jeff Squier.
In addition to his passion for science, Professor Wilson was instrumental in preserving large portions of Torrey Pines State Park. He shared a love of bodysurfing in the Pacific with his daughter Tasha and a love of books and music with his daughter Maya. Kent Wilson is survived by his wife of 32 years, Lana Wilson, a potter. He is also survived by two daughters, Tasha Wilson, a clinical social worker, and Maya Wilson Chakko, a public policy analyst; and his son-in- law, Matthai Chakko, all of whom live in Northern California.
a. Open Positions
FACULTY
PERMANENT RESEARCH STAFF POSITION, IAMS, TAIWAN
The IAMS of Academia Sinica in Taiwan invites applications for a tenure-track position at the level of assistant research fellow in experimental chemical dynamics. Applicants should have a Ph.D. in chemistry or physics and an excellent track record in research in the general area of gas phase physical chemistry or chemical physics. Two years postdoctoral experience is desirable. The initial appointment will be for four years in collaboration with Dr. Kopin Liu at IAMS. The successful candidate is anticipated to establish his/her own research program upon promotion. The IAMS is rapidly developing into one of the world's prime research institutions, offering excellent working conditions and technical support. Additional information can be glanced at http://kliu.iams.sinica.edu.tw/. Applications with three letters of recommendation, full curriculum vitae including a list of publications should be sent to: Dr. Kopin Liu, Institute of Atomic and Molecular Sciences, Academia Sinica, P.O. Box 23-166, Taipei 10764, Taiwan. Fax: 886-2-2362-0200; email: kpliu@gate.sinica.edu.twin
Research Professorship Position
Three Research Professorship Position Available at the State Key Laboratory of Molecular Reaction Dynamics, Institute of Chemistry, Chinese Academy of Sciences at Beijing
Three full research professor positions are available and need to be filled from Jan. 2000 to Dec. 2001, at the State Key Laboratory of Molecular Reaction Dynamics (MRDLAB), Institute of Chemistry, Chinese Academy of Sciences (CAS) at Beijing.
Position title: Full research professor
Starting fund: 2M. RMB/3 years and supporting facilities
Base salary: 4000 RMB/month + fringe benefit
Housing: 3 bedroom apartment
Candidates are expected to have more than two years of research experiences after obtaining Ph.D. degree in Physical Chemistry or (Chemical) Physics. Each of the candidates is expected to be leader of an independent research group in the following three areas:
1 for Femtosecond Laser Chemistry in the following research directions:
Ultrafast spectroscopy, Reaction dynamics and mechanism, Electron and proton transfer processes, Energy transfer, internal conversion and solvation processes, etc
1 for Photochemical Dynamics in Condensed & Gas Phase in the following research directions:
Reaction dynamics in the liquid phase and gas phase, Isomerization dynamics, Electron transfer in polymer, semiconductor, and biological systems, Other dynamic processes in the condensed phase, etc.
1 for Atomic Clusters and Gaseous Molecules in the following directions
Photoelectron spectroscopy of clusters, ZEKE spectroscopy, Reactivity of atomic clusters and gaseous molecules, Transition state Spectroscopy, Caging effects in clusters, etc.
MRDLAB is one of the few laboratories in China focusing on researches in various areas of modern physical chemistry. It was founded in 1986, with the auspice of Nobel laureate Professor Yuan T. Lee as its honorary director, and with the annual funding support from the State Planning Committee. The MRDLAB is also supported by the Innovation Project of CAS through the newly established Center of Molecular Sciences (CMS) of CAS. Major fundings are also from the State Department of Sciences & Technology and Chinese National Science Fundation. Successful candidates are also going to be supported by the Hundred Person Project of CAS.
The advantages to work at MRDLAB are:
Leading research laboratory in China, Well-equipped and with good research support, Close contact with major funding agencies, Close contact with Peking & Tsinghua Universities (walking distance), Good academic research atmosphere, In expanding phase in next few years
For more information please visit MRDLAB homepage at: http://159.226.64.133/
Contact Information: Please email your CV to: Professor and Vice Director Gao, Zhen at gaoz@mrdlab.icas.ac.cn
Or please fax to: Professor and Vice Director Gao, Zhen at 86-010-62563167
Or please mail to: Professor & Director Gao, Zhen
Molecular Reaction Dynamics Laboratory, Institute of Chemistry, CAS, 1st North St., ZhongGuanCun, HaiDian District, Beijing, People's Republic of China 100080
*Note: The update version of this announcement could be obtained at the Job Announcement section of our homepage at: http://159.226.64.133/
Temple University, Faculty Positions in Physics
The College of Science and Technology at Temple University is in the process of a major recruitment effort and is filling 34 faculty positions as part of a major expansion. The College invites applications for positions at the level of Full, Associate and Assistant Professor. Newly hired faculty will be given tenure track positions within the Department of Physics. Successful candidates are expected to have, or be able to develop, a significant research program supported by external funding and to have a strong commitment to teaching at both the undergraduate and graduate level. Candidates should also have a strong interest in interdisciplinary collaboration with the other Departments of the College as well as with Research Centers in the College, examples of which include the Center for Biotechnology, Center for Computer Science and Applied Mathematics, Center for Environmental Science and Technology, and the Center for Bioengineering and Biomaterials. In addition to these, new centers are being formed, including a center for advanced research in Physics to promote interdisciplinary collaboration.
Areas of particular interest include but are not limited to
1. high energy nuclear and particle physics,
2. soft condensed matter physics,
3. molecular physics.
Both experimentalists and theoreticians will be considered. Salary will be competitive and commensurate with qualifications and level of appointment.
Candidates should submit a letter of application, curriculum vitae, and a publication list, as well as evidence of teaching skills and a funded research program. They should also arrange to have three letters of reference sent to: Chair, Physics Faculty Search Committee, Office of the Dean, College of Science and Technology, 409 Barton Hall A, Temple University, Philadelphia, PA 19122. Additional information may be obtained at www.temple.edu/physics or by e-mailing meziani@vm.temple.edu . Temple University is an Equal Opportunity/ Affirmative Action Employer.
Original announcement is available at:
http://www.temple.edu/CST/jobs/Physics_ad_1999-2000.htm
POST DOCTORAL AND VISITING
POSTDOCTORAL POSITION, UNIVERSITY OF MONTREAL
Owing to the decision of an applicant to withdraw, a postdoctoral position is again available in the group of Tucker Carrington Jr. at the University of Montreal, Canada
The initial appointment will be for one year but funds are available for a second year. Candidates should have training in either theoretical chemistry or theoretical physics. Experience in quantum dynamics calculations would be an asset.
The group is interested in developing and applying new methods for
calculating:
(i) vibrational and ro-vibrational energy levels of small
polyatomic molecules (JCP 99 8519 (1993), JCP 100 6175 (1994), JCP 101
8494 (1994), JCP 103 5600 (1995), JCP 107 9493 (1997), Chem Phys Lett
287 307 (1998), Chem Phys Lett 287 289 (1998),
Chem Phys Lett 312 311 (1999), JCP 107 2813 (1997),
JCP 110 10269 (1999), JCP 112 8765 (2000));
(ii) rate constants (Chem Phys Lett 267 417 (1997),
Chem Phys Lett 293 209 (1998)),
(iii) photodissociation cross sections (JCP 105 141 (1996)).
Preprints of articles in press (on kinetic energy operators, the discrete variable representation, and a new filter diagonalisation method ) are available upon request.
Interested candidates should send a C.V. and a summary of research interests and arrange to have two or three letters of recommendation sent to the address below.
Tucker Carrington Jr., Departement de chimie, Universite de Montreal, Case postale 6128, succursale Centre-ville, Montreal (Quebec) H3C 3J7, Canada
tel: (514) 343-2123 e-mail: Tucker.Carrington@umontreal.ca , fax: (514) 343-7586,
POSTDOCTORAL POSITION, UNIVERSITY OF TORONTO
Postdoctoral applicants are sought for a position in theoretical chemical physics, either in the study of coherent control of molecular processes or in semiclassical mechanics. A background in theoretical or computational Chemistry or Physics is required. Previous experience in either semiclassical mechanics or in the study of light interacting with matter would be a great asset.
Interested applicants should write Paul Brumer at pbrumer@tikva.chem.utoronto.ca
or at
Prof. Paul Brumer, Chemical Physics Theory Group, Department of Chemistry, University of Toronto, Toronto, Ontario, Canada M5S 3H6
POSTDOCTORAL POSITION, UNIVERSITY OF WATERLOO
I have PDF openings in experimental projects involving spectroscopy of atmospheric species.
The projects relate to the increasingly important area of the chemical identification of atmospheric species by remote sensing methods. They include both field measurements and laboratory studies. The duties require some familiarity with laser spectroscopy and FTIR.
For more information, please see:
http://sciborg.uwaterloo.ca/~sloanj/grad.html
Professor James Sloan, Departments of Chemistry and Physics, University of Waterloo, Waterloo ON N2L 3G1, CANADA
Tel: +1 519 888 4401, Fax: +1 519 746 0435, e-mail: sloanj@UWaterloo.CA
POSTDOCTORAL POSITION, UNIVERSITY OF INDIANA
A postdoc appointment for a recent PhD is available with the experimental chemical physics group of C. S. Parmenter. The research concerns vibrational and rotational dynamics in gas phase molecules with six to thirty modes.
Two studies focusing on collisional energy transfer will receive much attention in the next few years. One is designed to reveal the steric effects that underlie these collisional interactions. While predicted by theory to be large, steric influences on inelastic collisions with polyatomics have never before been experimentally accessible. We are using crossed molecular beams to give state-to-state resolution of single collision rotational and rovibrational energy transfer channels in planar or near-planar symmetric top molecules. A laser pumps an initial vibrational level in an electronically excited state with selected angular momentum around the top axis. To achieve control over the collision geometry, molecules are aligned using the laser polarization as guided by recent theory. (JCP 107, 7138 (1997), JPC-A 101, 9594 (1997)) The alignment establishes bias toward edge-on or broadside encounters. Dispersed fluorescence yields relative cross sections for the competition among dozens of individual rotational and rovibrational channels that will produce a comprehensive picture of steric influences.
The other is directed at the collisional activation/deactivation of large molecules with the high vibrational energy needed for unimolecular reaction. Despite years of study, one basic measurement remains elusive, namely the absolute total cross section for energy transfer into the neighboring vibrational field for these highly excited molecules. We are using a new twist on our oxygen fluorescence quenching method (chemical timing) that has long been associated with collision-free vibrational dynamics to produce these measurements. The method is adapted to a collisional environment that produces absolute cross sections for vibrationally excited molecules with state densities of thousands of levels per wave number.
Applicants should submit a CV and arrange to have letters of recommendation sent on their behalf.
Prof. Charles S. Parmenter, Department of Chemistry, Indiana University, Bloomington, IN 47405, USA
Email: parment@indiana.edu , Office: (812) 855-3522, Fax: (812) 855-8300
POSTDOCTORAL POSITION, COMPLUTENSE UNIVERSITY, MADRID
Applications are invited for a postdoctoral fellowship in Gas Phase Reaction Dynamics under the supervision of Professor F. Javier Aoiz and funded by the European Union RTN (Research Training Network) programme, as part of the RTN Network on "Reaction Dynamics: experimental and theoretical studies on the dynamics of reactions of atoms and radicals of fundamental and practical importance". This programme involves seven laboratories: University of Perugia (Italy), University of Oxford (UK), University of Nijmegen (The Netherlands), University of Bielefeld (Germany), University Complutense Madrid (Spain), University of Stuttgart (Germany), University of Muenchen (Germany).
The projects to be developed in our laboratory are concerned with experimental studies of photon initiated elementary chemical reactions in a molecular jet/beam and of photodissociation of molecules containing sulfur and halogens by using resonance enhanced multiphoton ionization (REMPI) and time-of-flight mass spectrometry (TOFMS). In addition, theoretical work based on quasi-classical trajectory and quantum mechanical reactive scattering calculations of the dynamics of the reactions studied experimentally will be performed.
The position (for up to 3 years duration) for young post-doctoral researchers with experimental and/or theoretical skills in the field of Reaction Dynamics is available from July 2000 although the exact commencement date is negotiable. Given the strong links between the different groups in the RTN, the post-doc is expected to spend up to one month each year in another laboratory of the RTN "Reaction Dynamics". Salary is about 3000 euro/month (before taxes). Under the terms of the RTN Programme, the young researcher applicant (aged 35 years or less) must be a national of a Community Member State or a State associated with the RTN Programme (Bulgaria, the Czech Republic, Estonia, Hungary, Iceland, Israel, Latvia, Liechtenstein, Lithuania, Norway, Poland, Romania, Slovakia and Slovenia). The applicants must not be national of the state in which the participant appointing them is established and must not have carried out their normal activities in that state for more than 12 of the 24 months prior to their appointment.
Interested candidates should send a Curriculum Vitae to the address below using conventional or electronic mail. The name and addresses of two referees should also be provided at this time. Informal inquiries are also welcome.
Prof. F. Javier Aoiz, Departamento de Quimica Fisica, Facultad de Quimica, Universidad Complutense, 28040 Madrid, Spain. E-mail: aoiz@legendre.quim.ucm.es ; Phone: (+34)91 3944126; Fax: (+34)91 3944135.
POSTDOCTORAL POSITION, BEN-GURION UNIVERSITY
A post-doctoral position is available at Ben-Gurion University with Professor Yehuda Band to carry out research on ultra-cold atom collisions, Bose-Einstein condensation, coherent matter waves, quantum information and quantum computing, nonlinear optics and optical pulse propagation in dispersive media.
Candidates should be familiar with collision theory, close-coupling methods, molecular physics, and/or linear and nonlinear optics, and have experience in fortran programming.
In order to apply, send CV and arrange for two letters of recommendation to be sent to:
Professor Yehuda Band, Departments of Chemistry and Physics, Ben-Gurion University, Beer Sheva, 84105 ISRAEL
The approximate starting date for the position is September/October.
For further information contact Yehuda Band at E-Mail Address: band@bgumail.bgu.ac.il
Address, telephone and FAX abroad (until September): Professor Yehuda Band, National Institute of Standards and Technology, 100 Bureau Drive Stop 8423 , Gaithersburg, MD 20899-8423
Phone: 301-975-8561, Fax: 301-990-1350,
POSTDOCTORAL POSITION, WAYNE STATE UNIVERSITY A post-doctoral position is available in the area of molecular dynamics simulations of adhesion, friction, and lubrication. The position involves both the development of methods/algortihms for the simulations and applications to problems of technologivcal importance. Issues to be addressed include: potential energy functions for surfaces and interfaces, relaxation and energy transfer dynamics at interfaces and wear (i.e. chemical reactions) of sliding surfaces. An important component of the research is direct QM/MM dynamics of sliding surfaces. The high-performance computing architecture available for this research includes a 24 processor IBM-SP and a 54 processor SUN cluster. Please contact William L. Hase, Department of Chemistry, Wayne State University, Detroit, MI 48202, USA; email wlh@chem.wayne.edu . Wayne State University is an equal opportunity employer.
POSTDOCTORAL POSITION, HEBREW UNIVERSITY OF JERUSALEM
I wish to advertise two positions which are offered either at the Ph.D. or post-doc level, concerning applications of ultrafast spectroscopy to chemical dynamics in condensed phases. The research will be conducted in the physical chemistry department at the Hebrew University in Jerusalem, Israel. The first project deals with developing novel pulse shaping and multichannel optical detection techniques for implementation of control schemes in condensed systems. The other will address primary light induced events in native and synthetically modified bacteriorhodopsins. The laboratory provides a wide base of state of the art equipment, including 2 amplified 30 fsec laser systems, an OPA producing ~20 fsec pulses, tHz generation and detection equipment, and multichannel as well as single frequency detection systems for pump-probe spectroscopy. Preference will be given to candidates who have prior experience with ultrafast lasers. Interested parties are encouraged to contact me for further details, and are requested to provide letters of reference from people who are closely acquainted with their work.
Sanford Ruhman
POSTDOCTORAL POSITION, JILA, UNIVERSITY OF COLORADO
A postdoc position is available beginning immediately in the group of John Bohn at JILA. The project will center on the theory of ultracold molecular gases, including cold collisions, novel types of ultracold chemistry, and possibilities for new phenomena in Bose-Einstein condensates. Candidates with a background in scattering theory, molecular physics, theoretical chemistry, or many-body physics are particularly encouraged to apply.
JILA is an interdisciplinary institute located in beautiful Boulder, Colorado at the foot of the Rocky Mountains. For details on JILA postdoc positions, including the application form, please visit the "Research and Job Opportunities" section of the JILA website, http://jilawww.colorado.edu/ . Also feel free to contact me at bohn@murphy.colorado.edu for further information on this position.
John L. Bohn, Associate Fellow, JILA, Research Assistant Professor, University of Colorado, JILA, Campus Box 440, University of Colorado, Boulder, CO 80309
Phone: (303) 492-5426, Email: bohn@murphy.colorado.edu , URL: http://condon.Colorado.EDU/~bohn/
POSTDOCTORAL POSITION, UNIVERSITY OF YORK
An EPSRC-funded postdoctoral research assistantship is available from October 1 2000 for 3 years. The research will involve development of time-resolved infrared spectroscopy and its applications to laser photochemistry of organometallics. The research programme is led by Professor Robin Perutz and Dr Simon Duckett. Their research groups have an international impact and strong links with other groups in Europe and North America. Candidates should have extensive experience of laser spectroscopy. Salary will be in the range from £16755 to £18737. For information about the University and the research, consult the World Wide Web at http://www.york.ac.uk and http://www.york.ac.uk/depts/chem/staff/rnp respectively. Candidates are asked to submit three copies of a full curriculum vitae, together with the names of two referees to the Director of Personnel, University of York, York YO10 5DD, UK, from whom further information may be obtained. Closing date Aug 25 2000. For informal inquiries contact Professor Perutz (tel +44-(0)1904-432549, e-mail rnp1@york.ac.uk).
POSTDOCTORAL POSITION, UNIVERSITY OF WATERLOO
The position is available immediately. It involves the development of new laser and FTIR spectroscopic instruments for applications in remote sensing of tropospheric aerosols. Candidates should have some experience with lasers and spectroscopy, and also should have some scientific programming skills.
The project is supported by the Centre of Excellence for Earth and Space technology and by the Canadian Space Agency. Two industrial partners are participating in the instrument design. Validation and testing is being done in collaboration with scientists from Environment Canada and the Ontario Ministry of the Environment, and involves field studies organized by both agencies. The candidate will have the opportunity to work with atmospheric scientists in these laboratories, and will interact extensively with our industrial partners.
General information about other current projects in our laboratory may be found at: http://www.science.uwaterloo.ca/~sloanj .
The University of Waterloo is located about 100 km west of Toronto, in a pleasant, rural setting. It has approximately 20,000 students. The Kitchener-Waterloo urban area has a population of approximately 250,000. The position is for one year initially, extendable subject to mutual agreement and the availability of funds. Applicants should forward a CV and two letters of reference to:
Prof. J.J. Sloan, Department of Chemistry, University of Waterloo, Waterloo ON N2L 3G1 Canada.
Fax: 1 519 746 0435, e-mail: sloanj@UWaterloo.CA
POSTDOCTORAL POSITION, UNIVERSITY OF ECOLE NORMALE SUPERIEURE, PARIS
A postdoctoral position in femtosecond physical chemistry is open at the department of chemistry of Ecole Normale Superieure (ENS) of Paris, in the CNRS unit 8640. The research project deals with photoinduced elementary processes in organic materials and biological photoreceptors in condensed phase, studied by time-resolved femtosecond UV-visible absorption spectroscopy. The project involves the development of a pump-probe set-up with sub-50 fs time-resolution by using an amplified Ti:Sapphire laser and a visible OPA. Two 500-fs dye-laser systems and a pump-probe set-up are presently available for absorption and gain spectroscopy with subpicosecond resolution, in addition to a streak camera for time-resolved fluorescence. This research will be developed in a group involving three permanent researchers, in a collaborative effort with other ENS groups in synthesis and theoretical chemistry.
ENS is located downtown Paris in the Latin district. The position is for one year, starting between October and December 2000. The applicant should not be from the European Community but from any other* of the 29 countries of OECD plus Brazil, China and India. He/She should be less than 35 years old. The salary is 12000FF (1829 Euros) per month plus health insurance for the applicant. Experience in femtosecond time-resolved spectroscopy will be considered. Applicants should send their CV and three letters of recommendation to the address below.
*(Australia, Canada, Czech Republich, Hungary, Iceland, Ireland, Japan, Korea, Mexico, New Zealand, Norway, Poland, Switzerland, Turkey, USA)
Monique Martin, Director of Research, UMR ENS-CNRS 8640, PASTEUR, Departement de Chimie, Ecole Normale Superieure, 75231 Paris Cedex 05 - France
Phone: 00 33 (0)1 44 32 24 12, Fax: 00 33 (0)1 44 32 33 25, email: Monique.Martin@ens.fr
POSTDOCTORAL POSITION, ARGONNE NATIONAL LABORATORY
A postdoctoral or visiting scholar position is available in the Chemistry Division of the Argonne National Laboratory in the area of theoretical and computational studies of atomic clusters and nanoparticles. The studies cover a broad variety of physical and chemical properties of these systems and related phenomena, including interactions with molecules and substrates. Both, homogeneous and heterogeneous, e.g., alloy, systems are considered. The work involves general analytical and methodological developments especially relevant for the finite size regime, code development, and large-scale computer simulations. Excellent computational resources are available. Highly motivated, creative, and desiring to excel candidates with background in quantum chemistry, theoretical chemistry and/or solid state physics, classical and quantum dynamics, and related fields are welcome to apply. Argonne offers highly competitive compensation and excellent benefits. The appointment is initially for one year with a possible extension upon mutual agreement. Interested candidates should forward their CV and list of publications and arrange for three recommendation letters to be sent to
Dr. Julius Jellinek, Chemistry Division, Argonne National Laboratory, Argonne, Illinois 60439, USA
E-mail: jellinek@anlchm.chm.anl.gov , Tel.: (630)252-4729 , FAX: (630)252-4954
POSTDOCTORAL POSITION, GENESIS RESEARCH INSTITUTE, EAST TOKYO
Postdoctoral Position, Genesis Research Institute, Inc. in collaboration with Cluster Research Laboratory, Toyota Technological Institute A postdoctoral position is now available in the laboratory of Tamotsu Kondow in East Tokyo Laboratory of Genesis Research Institute, Inc. and Cluster Research Laboratory of Toyota Technologoical Institute. The postdoctoral fellow will work on cluster deposition onto a solid surface at a pressure as low as 10-10 Torr and observation of a deposited cluster by using STM operated at 6 K and 7 T, together with optical probes, which will be available. The initial appointment will be for one year, with possible renewal for the second year. Salary will be competitive, and the position includes excellent health insurance. If interested, please send a CV, one reprint for each paper, and arrange for two letters of recommendation to be sent: Tamotsu Kondow, Professor of Cluster Research Laboratory, Toyota Technological Institute: in East Tokyo Laboratory, Genesis Research Institute, Inc. Futamata 717-86, Ichikawa, Chiba 272-0001, Japan. Phone: +81-47-320-5911, FAX: +81-47-327-8031, E-mail: kondow@mail.cluster-unet.ocn.ne.jp , WWW: http://www.cluster-unet.ocn.ne.jp
POSTDOCTORAL POSITION, UNIVERSITY OF SOUTHERN CALIFORNIA
A postdoctoral position is available in the laboratory of Professor Steve Bradforth in the area of Ultrafast Reaction Dynamics in Solution. The position is immediately available and funded for two years. The candidate should have experience in Ti:Sapphire laser technology, including the maintenance and use of regenerative amplifiers. Experience with optical parametric amplifiers is preferred. Candidates with backgrounds in either gas or condensed phase research will be considered.
Applicants should send a CV by email to bradfort@chem1.usc.edu and arrange for two letters of recommendation to be sent by mail to: Stephen Bradforth, Department of Chemistry (SSC 702), University of Southern California, Los Angeles, CA 90089-0482, USA
Full details of our reserach program can be found at http://www-rcf.usc.edu/~bradfort/
For further information please contact bradfort@chem1.usc.edu .
POSTDOCTORAL POSITION, UNIVERSITY OF UTAH
A post-doctoral position is available immediately in the field of soft condensed matter simulations in the Department of Materials Science and Engineering at the University of Utah. Candidates should have a strong background in molecular dynamics simulations of molecular liquids, solutions, liquid crystals and/or polymers.
The position provides opportunities to work on a variety of projects, including property prediction for the ASCI Center for the Simulation of Accidental Fires and Explosions ( http://www.csafe.utah.edu/ ), simulation of aqueous polymer solutions and hydrogels, simulations of ionomers and polyelectrolytes and simulations of polymer structural materials and nanocomposites. In addition to simulations, responsibilities will include model and algorithm development and implementation, project management, and student supervision. The position also provides extensive opportunity for close collaboration with experimentalists.Information regarding our group can be found at http://www.che.utah.edu/~gdsmith/ Interested parties should send their resume to Grant Smith at
gsmith2@geoffrey.emro.utah.edu
POSTDOCTORAL POSITION, UNIVERSITY OF LEIDEN INSTITUTE OF CHEMISTRY
A postdoc position is available in a joint project of the Theory Group of the Leiden Institute of Chemistry (Dr. M.C. van Hemert) and the Molecular Astrophysics Group at the Leiden Observatory (Prof.Dr. E.F. van Dishoeck).
The project involves the study of dissociative recombination, a basic chemical process which occurs in a wide variety of plasmas, but which at present is not well understood for even the simplest systems. Molecules for which dissociative recombination will be investigated are astrophysically and/or atmospherically important polyatomic ions, in particular CH2+, H2O+ and H3O+. A high level ab initio (Multi-Reference Configuration Interaction or MRCI) method will be used to obtain the potential energy surfaces of the ion and of the neutral molecule which dissociates after the capture of the electron. The nuclear motion towards dissociation on these surfaces will be followed with wave packet dynamics, taking into account non-adiabatic couplings between these surfaces when necessary (also obtained with MRCI). Innovative aspects of the project include the modeling of the initial state (the molecular cation + the electron to be captured) and the calculation of the manifold of highly excited Rydberg states, The results will be compared with new experiments and will provide insight into the basic mechanism for single vs multiple bond breaking.
The position is available starting anytime after 15 September 2000, for a total period of two years.
Scientists with a Ph.D. in Chemistry, Physics, or numerical Mathematics who are interested in molecular quantum mechanics and have experience with numerical methods and computer programming are asked to apply. The total salary (before taxes) will be between dfl 5153,- and dfl 8682,- per month, depending on experience.
If interested, please send a letter and CV by airmail to the below address, and arrange for two letters of recommendation, to be sent as well to the below address (please use ordinary or air mail, not e-mail). The deadline for receiving letter and CV is 1 September 2000
M.C. van Hemert ( mvhemert@chem.leidenuniv.nl ), LIC, Gorlaeus Laboratoria, Rijksuniversiteit Leiden, Postbus 9502, 2300 RA Leiden, The Netherlands
(Tel +31 71 527 4244, Fax +31 71 527 4488)
Information on the theory group can be found on rulgla.leidenuniv.nl Information on the molecular astrophysics group is in http://www.strw.leidenuniv.nl/astrochem
POSTDOCTORAL POSITION, SRI INTERNATIONAL
The Physics and Atmospheric Chemistry (PAC) Unit of the Molecular Physics Laboratory (MPL) is searching for well-qualified candidates for a post-doctoral position in experimental physical chemistry. The work involves collision energy transfer studies of excited states of molecular nitrogen, typically by means of pump-and-probe ionization techniques, under the supervision of Professor Marshall Ginter of the University of Maryland working in the laboratories of Dr. Richard Copeland at SRI International. These studies are directed towards an improved understanding of upper atmosphere processes. Electronically excited nitrogen molecules are an important species in the upper atmospheres of Earth and are to be investigated as part of a program to study auroral processes.
SRI International is a nonprofit contract research organization, located in Menlo Park, California, in the San Francisco Bay region, and is one of the largest such establishments in the world. Many areas of research are represented by the investigations carried out at SRI, including chemistry, physics, engineering, life sciences, computer sciences, education, and a variety of other disciplines. MPL has an international reputation for creative and innovative research in atmospheric studies, combustion processes, surface science, plasma research, and molecular beam research. Within MPL, the members of the PAC unit have been active for many years in studying the chemistry and physics of the atmosphere, with Dr Copeland's emphasis on the processes that occur in the 80-120 km night airglow region. There has been close coupling between the laboratory kinetics studies that this group carries out, and the results of optical emission studies by field observers.
The postdoctoral assistant will be employed by the University of Maryland and will perform the experiments at SRI International as a visiting scientist. We expect the candidate to have experience in the operation and maintenance of pulsed laser systems. Other qualifications include a Ph.D. degree in chemistry or physics, and beyond laboratory abilities, effective technical writing is an important attribute for the position, as well as an ability to make oral presentations. Appointment is for a minimum of one year, with a second year normally being available upon mutual agreement.
A resume, three letters of recommendation, and a one page "research interests" summary should be sent to:
Dr. Richard A. Copeland, PS091, Molecular Physics Laboratory, SRI International, Menlo Park, California 94025
Telephone: (650) 859-6534, email: richard.copeland@sri.com
POSTDOCTORAL POSITION, LAWRENCE BERKELEY NATIONAL LABORATORY
We have an opening for a post-doctoral fellow at the Chemical Dynamics Beamline of the Advanced Light Source in Berkeley, CA. Please alert potential candidates about this opportunity. There are currently 9 beamline scientists working at three different end-stations on a variety of projects from spectroscopy to dynamics.
PROJECT DESCRIPTION: The project involves experimental studies of radical photochemistry and crossed-beam reaction dynamics; flame diagnostics, the development of new radical molecular beam sources; innovative applications of synchrotron radiation to chemical dynamics studies such as coincidence imaging of photochemical products. Some of the work will be carried out in collaboration with outside users.
QUALIFICATIONS: PhD (within last four years) in Chemical Physics or a related discipline, experience in molecular beam photochemistry or reaction dynamics studies and a record of publication in chemical dynamics, spectroscopy, or a closely related field.
STARTING DATE: Anytime after September 1, 2000
Research will be jointly supervised by Tomas Baer and Dan Neumark
Send resume and at least 2 letters of recommendation to: Tomas Baer at tbaer@lbl.gov ; or
Tomas Baer, Chemical Dynamics Beamline, ALS, Lawrence Berkeley National Laboratory, 1 Cyclotron Road; Mailstop 2-6100, Berkeley, CA 94720
http://www.lbl.gov/chemicaldynamics/
POSTDOCTORAL POSITION, UNIVERSITY OF SURREY
A 3-year EPSRC-funded postdoctoral research assistantship is available from October 1 2000 for work with Dr Peter B Karadakov and Prof Graham A Webb on the development and applications of new ab initio methodology and computer codes for the calculation of NMR shielding tensors in extended one-, two-, and three-dimensional systems with translational symmetry.
Applicants should have a PhD in theoretical chemistry or chemical physics and good programming skills in FORTRAN. Previous experience with ab initio codes such as GAUSSIAN and CRYSTAL is highly desirable.
Starting salary will be on the RA1A scale in the range 16,286-19,869 per annum according to age and experience.
Further information can obtained from:
Dr Peter B Karadakov (e-mail: p.karadakov@surrey.ac.uk ) or Prof Graham A Webb (e-mail: g.webb@surrey.ac.uk )
Applications should be accompanied by a CV and the names and addresses of two referees. Closing date September 30 2000.
POSTDOCTORAL POSITION, UNIVERSITY OF MANCHESTER
Fundamental Molecular Beam Studies of Atom, Radical, Ion-Induced Reactions in Plasma-Surface Interactions.
This project is funded by the UK Engineering and Physical Sciences Research Council under its Technological Plasma Initiative. The aim of the project is to study the reactions of atoms, molecular, radicals and ions with semiconductor III-V surfaces important in plasma etching. An existing crossed-molecular beam apparatus will be modified to provide a unique experimental facility for the study of fundamental processes occurring in plasma-surface reactions.
These experiments follow on from existing studies of the gas-surface chemistry involved in the reactive plasma etching of III-V semiconductors using time-of-flight mass spectroscopy and laser-induced fluorescence. The Plasma Chemistry group at Manchester is also involved in research into a variety of plasma-based, environmental clean-up procedures for pollutants in gaseous waste streams including VOC's and diesel exhausts. A strong emphasis is placed on understanding the chemistry of the processing in order to better optimise the process and considerable effort goes into the development of computer-based kinetic models.
Applications are invited from Ph.D. scientists with experience in molecular beam-surface scattering, time-of-flight mass spectroscopy and laser spectroscopy. The position will be available from 1st October 2000. The appointment will be for up to two years at a salary in the range £16,286 - £18,185, p.a. (under review), according to age and experience.
Informal contacts may be made of either Dr P.A. Gorry ( p.a.gorry@man.ac.uk ; +44 0161 275 4676) or Dr. J.C. Whitehead ( j.c.whitehead@man.ac.uk ; +44 161 275 4692) or by mail at Chemistry Department, Manchester University, Manchester M13 9PL, U.K.
Applications should be made on a form provided by the Personnel Department ( personnel@man.ac.uk ) quoting the Reference Number (594/00). Applicants should also arrange for two or three academic referees to send references directly to Dr Gorry or Dr Whitehead. The deadline for applications is 15th August 2000.
Details of Manchester University, the Chemistry Department and of Manchester and its environs can be found on the web site http://www.man.ac.uk/
POSTDOCTORAL POSITIONS, EMORY UNIVERSITY
I am looking for a few Postdoctoral Fellows who will work in my group at Cherry L. Emerson Center for Scientific Computation and Department of Chemistry, Emory University, Atlanta, Georgia, USA. Please send your CV and publication list directly to me, preferably via e-mail. Also make arrangement to have at least two letters of recommendation (preferably from former advisers) directly to me.
The fellows will be involved in
Theoretical studies of structures and reactions of transition metal complexes, such as bioinorganic systems, organometallic compounds and homogeneous catalysts,
or Development of the ONIOM (Our own N-layered Integrated molecular Orbital + molecular Mechanics) method and computer code and its applications. (A good knowledge of the Gaussian code is essential for this project.)
or Theoretical studies of potential energy surfaces of excited electronic States for photochemical and ion-molecule reactions of small gas phase molecules.
The position can start immediately or by spring 2000. The appointment is originally for one year, but an extension to the second year is possible with mutual agreement.
This fall we will be moving into the top floor of the new Cherry Logan Emerson Building, and will upgrade the Emerson Center computing facilities.
Keiji Morokuma, William H. Emerson Professor of Chemistry, Department of Chemistry, Director, Cherry L. Emerson Center for Scientific Computation, Emory University, 1515 Pierce Dr., Atlanta, GA 30322, USA
Phone (404) 727-2180; Fax (404) 727-6586, E-mail: morokuma@emory.edu , Web: http://euch4m.chem.emory.edu
POSTDOCTORAL POSITION, UNIVERSITY COLLEGE LONDON
A postdoctoral position is available in the Chemistry Department at UCL to study the formation, reactivity and decay of molecular dipositive ions (dications) using both experimental and theoretical techniques. The position, which is available immediately, is for one year in the first instance with the possibility of renewal for an additional 18 months. The position is part of a European Network in Multiply Charged Ions, which is funded by the European Commission as part of the Framework 5 programme. Eligibility is therefore restricted to European nationals who are not UK citizens. Other nodes of the network are in Trento (Italy), Berlin (Germany), Prague (Czech Republic), Innsbruck(Austria), Perugia (Italy) and Wein (Austria). Funding is available for the successful applicant to spend some time at several of the above locations in addition to UCL..
The project will be supervised by Dr Stephen D. Price and Dr Nikolas Kaltsoyannis. Further information on the studies of molecular dications performed at UCL can be obtained from the UCL chemistry web server: http://www.chem.ucl.ac.uk/people/sdprice/index.html http://www.chem.ucl.ac.uk/people/nkalt/index.html
Additional information can be obtained from either Dr Price or Dr Kaltsoyannis at the address given below, or by email to either s.d.price@ucl.ac.uk or n.kaltsoyannis@ucl.ac.uk .
Selected Publications:
1 S.D. Price, J. Chem. Soc., Faraday Trans. 93, 2451 (1997).
2 Y.Y. Lee, S.R. Leone, P.H. Champkin, N. Kaltsoyannis and S.D.
Price, J. Chem. Phys. 106, 7981 (1997).
3 P.H. Champkin, N. Kaltsoyannis and S.D. Price, Int. J. Mass Spectr.
Ion Proc. 172, 57 (1998).
4 P.H. Champkin, N. Kaltsoyannis and S.D. Price, J. Elec. Spectr.
Relat. Phenom. 105, 21 (1999).
5 N. Tafadar, N. Kaltsoyannis and S.D. Price, Int. J. Mass Spectr.
Ion Proc. 192, 205 (1999).
6 N. Kaltsoyannis and S.D. Price, Chem. Phys. Lett. 313, 679 (1999).
To apply, please send a copy of your curriculum vitae to either Dr Stephen D. Price or Dr Nikolas Kaltsoyannis at Department of Chemistry, University College London, 20 Gordon Street, London, WC1H 0AJ. UK
POSTDOCTORAL POSITION, UNIVERSITY OF SUSSEX
Applications are invited for a postdoctoral fellowship to develop cooling and trapping techniques of molecules with specific applications to molecular radicals. This position will be in the group of Professor E. A. Hinds at the Sussex Centre for Optical and Atomic Physics and is funded by PPARC, as part of the "Measurement of the Electric Dipole Moment of the Electron" project.
The projects to be developed in our laboratory are concerned with creating a source of molecular radicals (YbF and BaF in particular), translationally and internally cooling the molecules that are formed and performing high resolution spectroscopic measurements upon them.
This position would particularly suit a recently-graduated chemical physicist or physical chemist who has a strong interest in the manipulation and trapping of molecules and considerable experience with some of the following: lasers, molecular beams, resonance enhanced multiphoton ionisation (REMPI) or time-of-flight mass spectrometry (TOFMS). Good oral and written presentation skills and the ability to work amiably in a group are absolutely essential.
The position (for up to 3 years duration) is available from Sep 2000 although the exact start date is negotiable. There are no nationality requirements for this position.
For further information about the position, please contact Prof. E. A. Hinds, SCOAP, CPES, University of Sussex,
(01273) 678081, (01273) 677196, e.a.hinds@sussex.ac.uk
http://pburton.maps.susx.ac.uk/scoap/index.html
POSTDOCTORAL POSITIONS, UNIVERSITY OF PERUGIA
POSTDOCTORAL POSITION (a)
Applications are invited for a postdoctoral position under the supervision of Professor Piergiorgio Casavecchia, and funded by the European Union's TMR (Training and Mobility of Researchers) Programme, as part of the TMR Network on Ästrophysical Chemistry: Experiments, Calculations, and Astrophysical Consequences of Reactions at Low Temperatures". This programme involves eight laboratories: University of Birmingham (UK), University College London (UK), University of Goettingen (Germany), Technische Universitat Chemnitz (Germany), University of Rennes (France), Observatoire de Paris, Meudon (France), University of Bordeaux (France), and the University of Perugia (Italy). The focus in our laboratory is on studies of chemical reaction dynamics using the Crossed Molecular Beams scattering technique with universal mass-spectrometric detection. Investigation of elementary atom(radical)-molecule and atom-radical reactions of relevance to Astrochemistry are being pursued. We exploit the novel capability of generating intense and continuous supersonic beams of carbon and nitrogen atoms, and hydroxyl (OH) and cyano (CN) radicals. All these beams have already been successfully tested and used for experiments. Experiments are planned on N, C, and CN reactions, as well as on atom-radical reactions as N+OH. More details of the research field, the technique used, and publications may be found at the following site: http://www.chm.unipg.it/chimgen/mb/exp3/casavecchia.html
and details of the Astrophysical Chemistry TMR Network should also be consulted: http://www.bham.ac.uk/Astrochemistry/
The position is available from November 1st, 2000 for one year (actually 13 months). The exact commencement date is negotiable. The post-doc is expected to spend up to one month each year in another laboratory of the TMR network. Salary is about 3000 EURO/month. Under the terms of the TMR Programme, applicants must be nationals of a Community Member State or a State associated with the TMR Programme (Iceland, Israel, Liechtenstein, Norway). The young researchers must not be nationals of the state in which the participant appointing them is established (i.e., Italy) and must not have carried out their normal activities in that state for more than 18 of the 24 months prior to their appointment. Experience in reaction dynamics and molecular beams is desirable. Interested candidates should send a Curriculum Vitae to the address below using conventional or electronic mail. The name and addresses of two referees should also be provided at this time. Informal inquiries are also welcomed. Prof. Piergiorgio Casavecchia, Dipartimento di Chimica, Università di Perugia, Via Elce di Sotto 8, 06123 Perugia, Italy. E-mail: piero@dyn.unipg.it (Phone: (+39) 075 - 585 5514; FAX: (+39) 075 - 585 5606).
POSTDOCTORAL POSITION (b) at DEPARTMENT OF CHEMISTRY - UNIVERSITY OF PERUGIA
Applications are invited for a postdoctoral fellowship in REACTION DYNAMICS under the supervision of Professor Piergiorgio Casavecchia, and funded by the European Union's RTN (Research and Training Network) Programme, as part of the Network on "REACTION DYNAMICS: Experimental and Theoretical Studies on the Dynamics of Reactions of Atoms and Radicals of Fundamental and Practical Importance". This programme involves eight laboratories: University of Perugia (Italy), University of Oxford (Expt) (UK), University of Nijmegen (Netherlands), University of Bielefeld (Germany), University Complutense Madrid (Spain), University of Oxford (Theory) (UK), University of Stuttgart (Germany), Technical University of Muenchen (Germany). The aim of this Network is to improve substantially our knowledge of the dynamics of elementary chemical reactions by combining, in a synergistic effort, state-of-the-art experimental techniques, based on molecular beam and laser spectroscopic methods, with state-of-the-art quantum chemical methods for calculating the potential energy surfaces that describe the reaction studied experimentally, and state-of-the-art quantum and quasiclassical methods for performing computations of scattering properties and thermal rate constants on these surfaces. The focus in our laboratory is on experimental studies of chemical reaction dynamics using the Crossed Molecular Beams scattering technique with universal mass-spectrometric detection. Investigation of prototype, elementary atom-molecule and radical-molecule reactions will be pursued, for which dynamical calculations by quasiclassical and/or quantum methods will be carried out by theoretical teams located in other laboratories participating in this Network. We will exploit the capability of generating intense and continuous supersonic beams of chlorine, oxygen, nitrogen, and carbon atoms and of hydroxyl radicals. More details of the research field, the technique used, and publications may be found at the following site: http://www.chm.unipg.it/chimgen/mb/exp3/casavecchia.html
and details of the REACTION DYNAMICS Network should also be consulted: http://www.chm.unipg.it/chimgen/Reaction_Dynamics.html
The position (for up to 3 years duration) for young post-doctoral researchers is available from the Fall 2000 although the exact commencement date is negotiable. Experience in reaction dynamics and molecular beams is desirable. Given the strong links between the different groups in the RTN and in the very spirit of the RTN programme, the post-doc is expected to spend at least one month each year in the laboratory of another Network member. Salary is about 3000 euro/month (before taxes). Under the terms of the RTN Programme, the young researcher applicant (aged 35 years or less) must be a national of a Community Member State or a State associated with the RTN Programme (Bulgaria, the Czech Republic, Estonia, Hungary, Iceland, Israel, Latvia, Liechtenstein, Lithuania, Norway, Poland, Romania, Slovakia and Slovenia). Subject to its final conclusion, the Association Agreement signed with the Swiss Confederation is expected to enter into force on the 01.01.2001). The young researchers must not be nationals of the state in which the participant appointing them is established and must not have carried out their normal activities in that state for more than 12 of the 24 months prior to their appointment. Interested candidates should send a Curriculum Vitae to the address below using conventional or electronic mail. The name and addresses of two referees should also be provided at this time. Informal inquiries are also welcome. Prof. Piergiorgio Casavecchia, Dipartimento di Chimica, Università di Perugia, Via Elce di Sotto 8, 06123 Perugia, Italy. E-mail: piero@dyn.unipg.it Phone: (+39) 075 - 585 5514; FAX: (+39) 075 - 585 5606).
POSTDOCTORAL POSITIONS, KTH, STOCKHOLM
Accelerator driven transmutation of nuclear waste is not only one of the fastest growing fields in modern science, but also one of the most rewarding! Hereby we announce two opportunities to participate in a work that makes people write to their governments and nobel prize laureates rotate in their graves!
The department of Nuclear and Reactor Physics at KTH participates in the EU 5th Framework Program on nuclear waste transmutation. Irradiation of the long lived nuclear waste in accelerator driven systems (ADS) is expected to enable a reduction of the radiotoxic inventories sent to geologic repository by a factor of 100. In order to implement such systems, experimental and theoretical work on materials properties under neutron and proton irradiation is needed to assess the feasibility of technical options such as uranium free nitride fuels and liquid lead/bismuth spallation targets.
Position 1)
Modelling and optimisation of plutonium nitride fuel pins to be irradiated in the R2 reactor at Studsvik. Applicants should have documented experience in either neutronics simulations and/or complex geometry Monte Carlo simulations. FORTRAN fluency is required, as part of the work includes modification of Monte Carlo codes to be used in the project.
Duration: 24 months
Position 2)
Modelling of irradiation damage in Fe-Cr alloys subject to hard spectrum neutron and proton fields. Applicants should have documented experience in solid state molecular dynamics simulations and/or density functional treatment of transition metals. C fluency is required, as part of the work includes modification of molecular dynamics codes to be used in the project.
Duration: 12 months
The working environment at the department of Nuclear and Reactor Physics is very dynamic with plenty of opportunities for travel and lively discussion. The computer park consists of dedicated Linux clusters to be significantly upgraded for the projects in question. Salaries depend on experience, but are above Swedish academic average. As both projects will start on September 1st 2000, applicants are urged to send their CV:s together with a list of reference persons by E-mail to janne@neutron.kth.se as soon as possible.
Turn the tide and join the ride towards a sustainable Nuclear Energy!
Janne Wallenius, Nuclear & Reactor Physics, Lindstedtsvägen 24, KTH, 100 44 Stockholm, Sweden
Tel: 08 - 790 6395, Fax: 08 - 106 948, Mobile: 0709 - 527 591, WWW: http://www.neutron.kth.se
POSTDOCTORAL POSITION, AFRL HANSCOM ION CHEMISTRY LABORATORY
Our laboratory uses three unique fast flow tubes to measure ion-molecule kinetics of interest to the Air Force. The combination of instruments covers a temperature range of 90 ñ 1800 K, a pressure range of 0.2 to 700 Torr, and a kinetic energy range of 0.01 to 0.5 eV. The combination of temperature and kinetic energy measurements allows us to study reactivity as a function of rotational energy and vibrational state. A supersonic cluster source allows measurements of large clusters. A prominent area of interest involves using plasmas to enhance combustion in jet engines. This entails both making laboratory measurements of key ion reactions with fuel components and combustion byproducts and computer modeling of the combustion processes.. Another combustion project involves ion nucleation of soot. Other interests include interactions of radio waves with vehicle generated plasmas around hypersonic vehicles and ion chemistry schemes for trace neutral detection.
Albert Viggiano, Skip Williams or Susan Arnold; Air Force Research Laboratory / VSBP, 29 Randolph Road, Hanscom AFB MA 01731-3010
781-377-4028 (Viggiano), 781-377-2076 (Williams), 781-377-1683 (Arnold), albert.viggiano@hanscom.af.mil , skip.williams@hanscom.af.mil , susan.arnold@hanscom.af.mil
b. Preprints
Photodissociation of polarized diatomic molecules in the axial
recoil limit: control of atomic polarization.
J. Chem. Phys.
JG Underwood & I Powis
School of Chemistry, University of Nottingham, Nottingham NG7 2RD UK
A quantum mechanical treatment of photofragment angular momentum polarization following photodissociation of a (possibly polarized) diatomic molecule is presented which includes AM coupling between the two fragments. The formalism treats coherent excitation of dissociative surfaces and the consequences of non-adiabtic coupling between surfaces.Possibilities for exploiting parent molecules polarization in order to control fragment polarization are discussed.
Crossed molecular beams investigation
of elementary chemical reactions relevant to polycyclic aromatic
hydrocarbons (PAHs) in outflow of carbon stars and hydrocarbon rich
planetary atmospheres
Planetary and Space Science 48, 483-492 (2000)
R.I. Kaiser, O. Asvany, Y.T. Lee
Laboratory investigation the formation of unsaturated nitriles in
Titan¡¦s atmosphere
Planetary and Space Science 48, 447-462 (2000).
N. Balucani, O. Asvany, L.C.L. Huang, Y.T. Lee, R.I. Kaiser, Y. Osamura
Crossed molecular beam experiments of radical-neutral reactions
relevant to the formation of hydrogen deficient molecules in
extraterrestrial environments
IAU Series
R.I. Kaiser, N. Balucani, O. Asvany, Y.T. Lee
The reaction of benzene with ground state carbon
atoms, C(3Pj)
J. Chem. Phys.
H.F. Bettinger, P.v.R. Schleyer, P.R. Schreiner, H.F. Schaefer III, R.I.
Kaiser, Y.T. Lee
A combined crossed beam and ab initio investigation on the reaction of
carbon species with C4H6 isomers I: the 1,3-butadiene
molecule,H2CCHCHCH2 (X1A¡¦)
J. Chem. Phys.
I. Hahndorf, H.Y. Lee, A. Mebel, S.H. Lin, Y.T. Lee, R.I. Kaiser
A combined crossed beam and ab initio investigation on the reaction of
carbon species with C4H6 isomers II: the dimethylacetylene molecule,
H3CCCCH3 (X1A1¡¦)
J. Chem. Phys.
L.C.L. Huang, H.Y. Lee, A. Mebel, S.H. Lin, Y.T. Lee, R.I. Kaiser
Crossed beam reaction of cyano radicals with hydrocarbon
molecules III: Chemical dynamics of
vinylcyanide (C2H3CN; X1A¡¦)
formation from reaction of CN(X2Sg+) with ethylene,
C2H4(X1Ag)
J. Chem. Phys.
N. Balucani, O. Asvany, A.H.H. Chang, S.H. Lin, Y.T. Lee, R.I. Kaiser,
Y. Osamura
Crossed beam reaction of cyano radicals with hydrocarbon molecules
IV: Chemical dynamics of cyanoacetylene (HCCCN;
X1S+) formation from reaction of CN(X2S+) with
acetylene,C2H2(X1Sg+)
J. Chem. Phys.
L.C.L. Huang, A.H.H. Chang, O. Asvany, N. Balucani, S.H. Lin, Y.T. Lee,
R.I. Kaiser, Y.Osamura
Neutral-neutral reactions in the interstellar medium III: Formation of
Nitriles via reaction of cyano radicals, CN(X2S+), with unsaturated
hydrocarbons
Ap.J. (submitted March 2000).
N. Balucani, O. Asvany, L.C.L. Huang, Y. T. Lee, R.I. Kaiser, Y.
Osamura, H.F. Bettinger, P.v.R. Schleyer, H.F. Schaefer III
Observation of borirene from reactions of boron atoms with
ethylene
J. Am. Chem. Soc. (submitted April 2000).
N. Balucani, O. Asvany, Y. T. Lee, R. I. Kaiser, N. Galland, Y.
Hannachi
Neutral-neutral reactions
in the interstellar medium IV: the formation of C5H5 isomers as
potential key intermediates to PAH like molecules
ApJ (submitted May 2000).
R.I. Kaiser, H.Y. Lee, A.M. Mebel, Y. T. Lee
Nucleation of hydrogen deficient carbon clusters in
circumstellar envelopes of carbon stars
World Scientific Press (submitted June 2000).
C.C. Chiong, O. Asvany, N. Balucani, Y.T. Lee, R.I. Kaiser
Neutral- neutral reactions in the interstellar medium V: Elementary
reactions of C6H5 and C6H6
ApJ (submitted July 2000).
R.I. Kaiser, O. Asvany, I. Hahndorf, Y. T. Lee, L. Vereecken, J.
Peeters, H.F. Bettinger, P.v. R.Schleyer, H.F. Schaefer
Inversionless Gain in an Optically-Dense Rosonant
Doppler-Broadened Medium
Optics Express ( http://www.opticsexpress.org/oearchive/source/22947.htm )
A. K. Popov, S. A. Myslivets and T. F. George*
Office of the Chancellor / Department of Chemistry and Physics & Astronomy
University of Wisconsin-Stevens Point,
Stevens Point, WI 54481-3897
tgeorge@uwsp.edu
Resonant nonlinear-optical interference processes in four-level Doppler-broadened media are studied, where specific features of amplification and optical switching of short-wavelength radiation in a strongly-absorbing resonant gas under coherent quantum control with two longer wavelength radiations are investigated. Calculations are carried out for sodium dimer vapor.
Four-Wave Mixing at Maximum Coherence and Eliminated Doppler Broadening
Controlled with the Driving Fields
European Physics Journal D - EPJdirect
( http://link.springer.de/link/service/journals/10105/tocs/t0002d.htm )
A. K. Popov, Alexander S. Bayev, Thomas F. George* and Vladimir M. Shalaev
Office of the Chancellor / Department of Chemistry and Physics & Astronomy
University of Wisconsin-Stevens Point
Stevens Point, WI 54481-3897
tgeorge@uwsp.edu
New feasibility of coherent quantum control of four-wave mixing processes in a resonant Doppler-broadened medium is studied, where we propose a technique which enables one to enhance the quantum efficiency of nonlinear optical conversion.
Representation of potential energy surfaces by discrete polynomials:
proton transfer in malonaldehyde.
Physical Chemistry Chemical Physics
V. Aquilanti, G. Capecchi and S. Cavalli
Dipartimento di Chimica, Universita' di Perugia, I-06123 Perugia, Italy
C. Adamo and V. Barone
Dipartimento di Chimica, Universita' Federico II, I-80134 Napoli, Italy
A new method for the expansion of potential energy surfaces has been developed exploiting the peculiar properties of Hahn polynomials, a class of orthogonal polynomials of a discrete variable which generalize 3j vector coupling coefficients of angular momentum algebra.
Angular momentum coupling schemes for molecular collisions: the
stereodirected representation
Physics Essays,Special Issue in Honor of Ugo Fano
Vincenzo Aquilanti, Simonetta Cavalli and Alessandro Volpi
Dipartimento di Chimica, Universita' di Perugia I-06123 Perugia, Italy
The tools of angular momentum algebra, and in particular the limiting relationships known as semiclassical limits provide alternative representations for the quantum mechanical scattering matrix and the description of steric effects in molecular collisions. Implications for reactive scattering theory, an explicit discretization algorithm (hyperquantization) and numerical results are also outlined.
Ab Initio Dynamics of He + H2+ ® HeH+ + H
Reaction: a New Potential Energy Surface and Quantum Mechanical
Cross Sections
Mol. Phys.
P. Palmieri(a), C. Puzzarini(a),
V. Aquilanti(b), G. Capecchi(b), S. Cavalli(b), D. De Fazio(b),
A. Aguilar(c), X. Gimenez(c), J.M. Lucas(c)
(a) Dipartimento di Chimica Fisica ed Inorganica, Universita' di Bologna,
40126 Bologna, Italy
(b) Dipartimento di Chimica, Universita' di Perugia, 06123 Perugia, Italy
(c) Department de Quimica Fisica, Universitat de Barcelona, 08028
Barcelona, Spain
More than 1400 ab-initio points at MRCI level and a many-body expansion with a large number of terms permits an accurate analytical representation of the potential energy surface with a root-mean-square deviation < 12 meV. A new hyperquantization algorithm has been implemented to obtain quantum mechanical integral cross sections which are compared with previous calculations and with experimental results.
c. Conferences
1. THE BRIJUNI CONFERENCE BRIJUNI (BRIONI) ISLAND, CROATIA
28.August-1.September 2000 Important problems for the XXI century
Important problems that confront science in future will be reviewed at the THE BRIJUNI CONFERENCE. The scope is limited to some areas of science, and omission of very important other issues does not mean ignorance but rather limited time available. The issues that will be reviewed are: its structure and how to explore it. Fundamental properties of matter and materials is there room for radically new ideas where do we come from and where do we go to? At the conference the discussion periods are assigned significant lengths of time and the oral presentations are designed to form a framework for meaningful discussion. Apart from the usual aim of developing an up-to-date perspective of the present state of a given topic, the fundamental scientific philosophy behind the series of conferences is the stimulation of cross-disciplinary flow of knowledge and expertise from both the experimental and theoretical standpoints.
General information: Apart from the invited presentations there will be both oral and poster contributions; however the number of oral presentations will necessarily be limited. The registration fee is $180 ($60 students). For more details and the updated information see:
http://www.brijuni-conference.irb.hr
Deadlines: The conference attendance is limited to 80 participants (excluding accompanying guests). As a consequence it is important that, if you wish to participate, you should return the form below as soon as possible, preferably by 1 May 2000 and certainly no later than 1 Jun 2000 when the final reservations at the Brioni Conference Centre must be confirmed. Please indicate below how certain you are of coming in the event that the conference is oversubscribed.
Application should be sent by email to: dbosanac@faust.irb.hr
or alternatively to the address:
S. Danko Bosanac
Institut Rugjer Boskovic
10001 Zagreb
Croatia
Tel: +385 1 4561 038
Fax: +385 1 4680 245
BRIJUNI CONFERENCE APPLICATION FORM
NAME (including accompanying person/s)
......................................................................
......................................................................
ADDRESS (including email)
......................................................................
......................................................................
......................................................................
TITLE OF CONTRIBUTION
......................................................................
......................................................................
2. The 16th International Conference on High Resolution Molecular Spectroscopy Prague, Czech Republic, September 3-7, 2000
LOCAL ORGANIZING COMMITTEE
VLADIMIR SPIRKO, chairman
STEPAN URBAN, executive chairman
Academy of Sciences of the Czech Republic
J. Heyrovsky Institute of Physical Chemistry
Dolejskova 3, CZ-18223 Praha 8, Czech Republic
Tel.: +420 2 6605 3635, Fax: +420 2 858 2307
E-mail: praha2k@jh-inst.cas.cz
OTA BLUDSKY, SVATOPLUK CIVIS, PAVEL KUBAT, JITKA ONDRACKOVA, IVANA PAIDAROVA, PETR PRACNA, MARIE SIMECKOVA, MILAN SINDELKA, KAREL VOLKA, IVAN WILHELM, ZDENEK ZELINGER.
INTERNATIONAL STEERING COMMITTEE
PER JENSEN, chairman
FB 9 - Theoretische Chemie
Bergische Universitaet - Gesamthochschule Wuppertal
Gaussstrasse 20, D-42097 Wuppertal, Germany
Tel.: +49 202 439 2468, Fax: +49 202 439 2581,
E-mail: praha2k@uni-wuppertal.de
JOSEF PLIVA (honorary chairman), LUCIANO FUSINA, VALERY I. PEREVALOV, GERARD PIERRE, WOLFGANG STAHL, JAMES K. G. WATSON.
2ND CIRCULAR: MARCH 2000
The conference will be held in Prague-Troja [approx. 5 km north of Wenceslas Square and less than 1 km from the Metro (subway/underground) station Nadrazi Holesovice], in buildings of the Charles University. The local organization will be undertaken by the J. Heyrovsky Institute of Physical Chemistry in the Academy of Sciences of the Czech Republic, Prague.
Please note that the meeting starts on a Sunday and ends on a Thursday. Hence you can conveniently make use of low-priced air line tickets requiring you to spend a Saturday night in Prague.
Please note that EUCMOSXXV: 25th European Congress on Molecular Spectroscopy will take place in Coimbra, Portugal, August 27 - September 1, 2000, that is during the week before PRAHA2000.
Prague, the capital of the Czech Republic, is a first-rank European cultural centre. It is not only a historical city with an extensive legacy of gothic and baroque cultural treasures, but also a modern metropolis with an infrastructure prepared to welcome more than a million visitors per year.
Scientific program
The invited speakers are:
DIONISIO BERMEJO, Instituto de Estructura de la Materia, CSIC, Madrid, Spain
Double resonance Raman-Raman spectroscopy.
CLAUDE CAMY-PEYRET, Universite Pierre et Marie Curie, Paris, France
An overview of infrared spectrometry measurements for atmospheric science.
PAUL J. CRUTZEN, Otto-Hahn-Institut, Mainz, Germany.
No title available.
THOMAS GIESEN, Universitaet zu Koeln, Germany
High resolution spectroscopy of pure carbon chain molecules.
MICHEL HERMAN, Universite Libre de Bruxelles, Belgium
No title available.
UFFE GRAAE JORGENSEN, Niels Bohr Institute, Copenhagen, Denmark
Spectroscopy of cool stars.
KEVIN K. LEHMANN, Princeton University, New Jersey, U.S.A.
Spectroscopy and dynamics of doped He nanodroplets.
ANTHONY J. MERER, University of British Columbia, Vancouver, Canada
Vibronic coupling effects in the electronic spectra of some polyatomic
metal-containing radicals
THOMAS R. RIZZO, Ecole Polytechnique Federale de Lausanne, Switzerland
Multiple-resonance spectroscopy at chemically significant
energies.
WILLIAM C. STWALLEY, University of Connecticut, U.S.A.
Photoassociative spectroscopy of ultracold atoms and formation
of ultracold molecules.
KEIICHI TANAKA, Kyushu University, Fukuoka, and Institute for Molecular Science, Okazaki, Japan
Submillimeter-wave Spectroscopy of Floppy Molecules, - Proton Tunneling
and van der Waals Vibration.
VLADIMIR G. TYUTEREV, Universite de Reims, France
No title available.
The lecture titles are preliminary.
Contributions, which will be presented partly as posters and partly as
contributed lectures, are invited in the fields of:
* Observation, measurement, and analysis of high resolution
rotational, vibrational, or electronic spectra of molecules
(radicals, ions, complexes, clusters, ...) in the gas phase or in
matrices.
* Experimental techniques for observing such spectra.
* Theory assisting the prediction, simulation, and interpretation of
them.
* Applications in related fields such as the physics and chemistry
of the atmospheres of planets and cool stars, the physics and
chemistry of the interstellar medium, chemical kinetics, etc.
Abstracts
The deadline for submission of abstracts is May 1st 2000.
ELECTRONIC ABSTRACT SUBMISSION (EAS)
We offer fully automated electronic abstract submission. We employ slightly modified versions of the programs written by Dr. Sergey Panov and Prof. Terry A. Miller for the Ohio State University Symposia on Molecular Spectroscopy. We are very grateful to Dr. Panov and Prof. Miller for making these programs available to us.
To submit your abstract electronically, you must download the
instructions. To accomplish this, do one of the following:
* Access the PRAHA2000 WWW site at
http://www.chem.uni-wuppertal.de/conference/ and follow the
menu to electronic abstract submission instructions, or
* Access our anonymous ftp server at praha.jh-inst.cas.cz
(or ftp.uni-wuppertal.de) and download the file submit, or
* Send an email to eas@praha.jh-inst.cas.cz
The email should contain only the subject line:
EAS Instructions.
When you have completed your electronic abstract, just email it to our test
address for viewing or to the above email address for actual submission.
Upon receipt, your document will be processed by a LaTeX-2e compiler
and you will automatically receive an email reply indicating either a
successful submission or a problem. If you submit electronically and you
receive confirmation of a successful submission, you need do nothing
more. Once you have successfully submitted your abstract,
DO NOT resubmit it or a "revised" copy electronically.
DO NOT send us an additional paper copy. Either action could result in
your abstract being included twice in the program. Please note that we can
only handle one format for electronic submission. LaTeX was chosen because
of its support by several American professional societies and widespread
use in the worldwide scientific community.
SUBMISSION OF ABSTRACTS BY PAPER MAIL
You are strongly discouraged from submitting abstracts by paper mail. Please
use the electronic abstract submission facility if at all possible. However
if you must, then submit two printed copies of each abstract to PRAHA2000,
c/o Dr. Stepan Urban, J.Heyrovsky Institute of Physical Chemistry,
Academy of Sciences of the Czech Republic, Dolejskova 3, CZ-18223 Praha 8,
Czech Republic, before May 1st 2000.
You can give your contribution as a poster (default) or as a talk. If
you prefer a talk, please write the word "TALK" in the lower left-hand
corner of the page (i.e., outside the area that will be reproduced
photographically) together with the number of minutes required
(max. 15').
A correct reproduction of your abstract requires that the rules in this
paragraph be followed:
* Each abstract should be typed on a single sheet of A4 (210 x 297 mm)
or letter size (8.5 x 11") paper.
* The typed area should not exceed 150 x 237 mm as indicated on the model
abstracts. Anything outside this area will be cut off.
* The typed area should be centered on the page so that the margins are
at least 30 mm wide.
* The quality of the typing should be sufficient for photographic reproduction.
* Each abstract should be headed by the title of the communication
together with the names, affiliations, and mailing addresses of the authors.
* Names of authors who will be present at the conference should
be underlined.
We would like the abstracts in the conference book to be of uniform appearance. Hence we would much appreciate it if you would use 12 pts Roman or Times New Roman font with a line spacing of 1.5, set the abstract title in bold capitals, the authors' names in small capitals, and the affiliations and addresses in italics.
Owing to the limited time available for contributed talks, we shall
probably not be able to grant all applications for oral presentations,
and we may find it necessary to shorten some contributed talks. If we must
shorten your talk, or turn it into a poster, we will inform you about this
as soon as possible.
PRAHA2000 Prizes
At the meeting, PRAHA2000 Prizes will be awarded for the best student
contributions.
The prize will consist of a diploma and the recipients will be given
a selection of books.
In order to be eligible for a PRAHA2000 Prize, a student must
* be primary (first) author of the work being presented;
* for talks: be the actual presenter of the talk;
* for posters: assume the sole responsibility for the presentation
during the entire session, and
* be working for a Ph.D. or having completed it within the last 12 months
(at the time of the meeting).
If a student wishes to compete for the PRAHA2000 Prize, he or she should
indicate this in the comment area of the abstract (due by May 1st, 2000)
for the talk or poster to be judged, if this abstract is submitted
electronically. The research supervisor should then send a letter
(to PRAHA2000, c/o Dr. Stepan Urban, J.Heyrovsky Institute of Physical
Chemistry, Academy of Sciences of the Czech Republic, Dolejskova 3,
CZ-18223 Praha 8, Czech Republic) certifying that the
student meets all of the above requirements. The letter of
certification should mention the unique identification
(in the form "pnnn", where "nnn" is a three-digit number) assigned to the
abstract by the electronic abstract submission software.
The letter of certification is not a nomination letter and will not be
considered by the prize judges. If the abstract is submitted by paper mail,
the letter of certification should accompany it.
Accommodation
Reservation of accommodation should be made before May 1st 2000
(See the registration form). Single and double rooms are available in
student dormitories within easy walking distance of the conference site.
For participants who prefer to stay in hotels, we will attempt to provide
comfortable rooms. However, the hotels may be located some distance from the
conference site. In hotels of category ***, the rooms have
telephones, TV sets, private bathrooms and toilets.
Meals will be available at the student cafeteria for euro 12 per day.
Registration
You should register before May 1st 2000
(See the registration form). If you have submitted a preregistration form,
you should receive the registration form by paper mail during March 2000.
Otherwise, you can request a registration form in one of the following ways:
* Download the PostScript file reg.ps or the WORD97 document
reg.doc from our ftp server. These files are formatted for A4 paper.
If you use letter size (8.5 x 11 inch) paper, please download
reg_lett.ps or reg_lett.doc. The files contain PostScript and WORD97
versions of the registration form. You can print out the files and fill
out the printed form, or fill out the WORD document electronically and
* Contact the local organizers (by paper mail, phone, fax, or e-mail.
and give them your paper mail address.
* You can also request a blank registration form from our WWW
fill-out form.
Registration fee
The registration fee is
Before June 1st, 2000
Students: euro 110
Other particpants: euro180
Accompanying persons: euro 120
After June1st, 2000
Students: euro 130
Other particpants: euro 200
Accompanying persons: euro 140
On site payment, 2000
Students: euro 135
Other Particpants: euro 205
Accompanying persons: euro 145
If you claim the reduced fee for students, please submit a copy of your
student identity card or its equivalent.
You can pay by bank cheque (drawn on Ceskoslovenska obchodni banka if
possible), money order, Eurocheque, Eurocard/Mastercard,
VISA, and by bank transfer to
Recipient: Ustav Fyzikalni Chemie, Dolejskova 3, 182 23 Praha 8.
Account Number: 01-09507280/0300
Bank: Ceskoslovenska obchodni banka, Na prikope 14, 115 20 Praha, Czech Republic.
SWIFT: CEKOCZPPPRA
Purpose of Payment: Conference Fee / <participant name>
Cheques should be made payable to Ustav Fyzikalni Chemie. Please do not send postal cheques or personal cheques.
In case the payment covers the costs of more than one participant, please send us (for example by e-mail to praha2k@jh-inst.cas.cz ) a complete list of their names. Do not forget to mention the name of the participant given under "Purpose of Payment" above.
You can cancel your registration until August 1st, 2000. Your payment
will be refunded with a euro 20 deduction for administrative purposes.
Social program
During the conference there will be a reception, a concert followed by
a light snack, a sight-seeing trip, and excursions for accompanying persons.
3rd circular with meeting information
June 2000. This circular will give instructions for preparing posters.
WWW server
The conference has a home page on the World Wide Web providing up-to-date information. Start browsing at URL
http://www.chem.uni-wuppertal.de/conference/
ftp server
The conference has ftp servers at
ftp.uni-wuppertal.de
and
praha.jh-inst.cas.cz
Use "ftp" or änonymous" as user id and enter your complete e-mail
address as password. The conference files are in the directory
pub/praha2k and most of them are mirrored at the two locations.
The ASCII file read.me gives a list of the files available at Wuppertal
and describes their contents.
Preliminary program
Sunday:
09:00 Opening Lectures, 10:30 Posters, 12:00 Lunch, 14:00 Lectures, 16:00 Posters, 18:00 Reception
Monday:
09:00 Lectures, 10:30 Posters, 12:00 Lunch, 14:00 Lectures, 16:00 Posters, 18:00 Dinner
Tuesday:
09:00 Lectures, 10:30 Posters, 12:00 Lunch, 14:00 Free Afternoon, 18:00 Dinner
Wednesday:
09:00 Lectures, 10:30 Posters, 12:00 Lunch, 14:00 Lectures, 18:00 Concert, Snack
Thursday:
09:00 Lectures, 10:30 Lectures, 12:00 Lunch
3. Faraday Discussion 117 - EXCITED STATES AT SURFACES
The University of Nottingham, UK, 4-6 September 2000
Many interfacial processes implicitly involve the creation and decay of excited states. This Discussion will highlight their role in experimental and theoretical surface science. We shall consider a wide range of phenomena including surface spectroscopies and reactions to arrive at a deeper understanding of the main issues by explicitly including a description of transient states.
Excited electronic states play a pivotal role in measurements in both the energy and time domain. Hole decay in optical spectroscopies has a long history but the advent of newer probes (e.g. multiphoton photoelectron emission) with improved resolution suggests that we are now in a position to test some of the long-standing paradigms. Many interesting resonance phenomena have been observed in electron energy loss spectroscopy from adsorbates and again new theoretical descriptions are required. The explosion of interest in scanning probe microscopies has focussed attention on the behaviour of processes in real space. The injection of electrons into molecular states at low energies gives rise to diffusion and complex restructuring in adsorbate layers. Elementary models have been proposed within the framework of Frank-Condon dynamics but with the emergence of high quality (albeit ground-state) electronic structure calculations is it possible to formulate excited state scenarios? The Discussion will also focuss on excited molecular states interacting with surfaces. The dynamics of a state-prepared molecule when it nears a surface is amazingly complicated with a wide range of final states possible (dissociation, scattering etc.). The interaction with the surface atomic and electronic degrees of freedom gives rise to transient excited states that dissipate energy and information. Are we yet in a position to arrive at a consistent theoretical description capable of including these effects?
Experimental and theoretical contributions relating to the above areas or to any other, unmentioned, aspects of excited states at surfaces will be most welcome.
Papers should be concerned with NEW, UNPUBLISHED WORK and contributions of both an experimental and theoretical nature are welcome. Titles and abstracts, of about 300 words should be submitted no later than FRIDAY 3 SEPTEMBER 1999 to Professor S Holloway, Surface Science Research Centre, University of Liverpool, Liverpool, L69 3BX, United Kingdom; Fax: +44 (0) 151 708 0662; email: faraday@ssci.liv.ac.uk
ORGANISING COMMITTEE
Professor S. Holloway (Chair), Dr. G. R. Darling, Dr. R. G. Jones, Dr. D. Lennon, Professor E. Hasselbrink, Dr. K. Kolasinski, Dr. M. R. S. McCoustra.
The URL of the Faraday Discussions Homepage: http://www.rsc.org/lap/confs/faradischome.htm
4. A Joint Meeting of CCP7 and the Astrophysical Chemistry Group
Observation, Analysis and Theory of Astronomical and Laboratory Spectra
6th - 8th September 2000, University of Kent at Canterbury
A joint meeting between CCP7 and the Astrophysical Chemistry group of the Royal Society of Chemistry will be held at the University of Kent at Canterbury on 6th - 8th September 2000. We have invited a galaxy of international speakers to the meeting to give lectures on all aspects of the Conference, including two tutorial lectures. The speakers and provisional lecture titles are:
Professor Pat Thaddeus: Carbon Chain Molecules
Professor Ted Snow: Results from FUSE
Professor Francoise Combes: Extragalactic Molecules
Professor Therese Encrenaz: Molecules in the Giant Planets
Dr Pascale Ehrenfreund: Ices observed by ISO
Professor Thomas Henning: Interstellar Dust
Professor Jonathan Tennyson: Calculating spectra for laboratory and astrophysical molecules
Dr Juliet Pickering: Laboratory spectroscopy
Dr Stephen Price: Formation of molecules on surfaces
Dr Jeremy Yates: Tutorial Lecture
Dr Tony Lynas-Gray: Tutorial Lecture
If you are interested in attending the Conference and presenting a paper or poster please check the Conference web site for an application form. Full details for the Conference can be found on the web site at
http://www.soton.ac.uk/~ams1/k2k
If you have any further questions please send me an e-mail. (My apologies if you have received more than one copy of this announcement.)
Dr Andrew Shaw, Secretary to the Organising Committee
Dr Andrew M. Shaw Stanford University Department of Chemistry Stanford CA 94305-5080 Tel: 650-723-4335 Fax: 650-725-0259
5. Symposium for Theoretical Chemistry
Registration is now open for the 36th Symposium for Theoretical Chemistry, "Quantum Mechanics and Quantum Effects in Systems of Increasing Complexity" to be held in Litschau, Austria, from 10 to 14 September 2000.
REMINDER - PLEASE NOTE THE FOLLOWING DEADLINES
Registration (definitive booking): 20 June 2000
Poster/contributed talk (preliminary title): 20 May 2000 (due now!!!)
Poster/contributed talk (final title and abstract): 07 July 2000
THIS IS A FINAL CALL FOR CONTRIBUTED PAPERS
In case you wish to present a poster/contributed talk at STC2000, please
* either register now
* or register later but submit a preliminary title, as soon as possible, to stc2000.theor-chemie@univie.ac.at
Full information on STC2000 can be found on the home page: http://www.itc.univie.ac.at/~STC2000/
With apologies for possible cross-posting, and with further apologies and thanks to all those who have already sent in their contributions
6. European Summerschool in Quantum Chemistry (ESQC-00)
Riolo Terme, Italy September 17-30, 2000
The European summerschool in quantum chemistry (ESQC-00) will be arranged for the seventh time in September 2000. This 'extra' summer school will be arranged in Italy as a collaboration between the Universities of Bologna and Lund (ESQC is normally arranged every odd year in Sweden. The next 'ordinary' school will be arranged in 2001). The school is open to students from all over the world, but some priority will be given to participants from the southern and eastern parts of Europe. A number of scholarships will be available to support students who have difficulties in financing their participation. The total number of participants is limited to 70 and the organizers will make the final selection of students in case there are more applicants. ESQC-00 will be arranged at the same level as earlier summer schools and with the same schedule. The only difference is the location.
The school will be arranged in the village Riolo Terme, located in Romagna on the eastern slopes of the Appenines between Bologna and Rimini.
The deadline for the preliminary registration is Jan 31, 2000.
Organizing Committee
Professor Gian Luigi Bendazzoli (University of Bologna)
Doctor Laura Gagliardi (Local Organizer, University of Bologna)
Professor Paolo Palmieri (University of Bologna)
President Gino Pasotti (IPS-International Products & Services, Milano and Terme di Riolo Bagni S.p.a., Riolo Terme, Italy)
Professor Björn O. Roos (School Director, Lund University)
The URL of the ESQC-00 Homepage:
http://www.teokem.lu.se/esqc/00
7. MOLEC 2000 (THE XIIIth MOLEC)
Jerusalem, Israel, September 17 - 22, 2000
Steering Committee: V. Aquilanti, M. Ashfold, M. Baer, K. Bergmann, G.D. Billing, G. Delgado-Barrio, F. Gianturco, Z. Herman, R. McCarroll, V. Sidis, J.P. Simons, S. Stolte, J.P. Toennies.
Local Organizing Committee: Michael Baer (Chair), Y. Band, R. Kosloff, A. Lifshitz, N. Moiseyev, A. Nitzan, E. Pollak, S. Rosenwaks, A. Wilson-Gordon, D. Zajfman.
General Information: MOLEC 2000 will be held in Jerusalem starting September 17 and ending September 22, 2000. The venue is the 4-star hotel of Kibbutz Ramat Rachel, on the Jerusalem municipal border. The Meeting, the XIIIth in the series of MOLEC conferences, will follow in format the former conferences. Registration will be on Sunday, September 17 starting in the afternoon. There will be two morning sessions and two afternoon sessions on the Monday, Tuesday and Thursday. Wednesday afternoon will be free, for the excursion-tour (in Jerusalem). The Farewell dinner will be held Thursday night. Friday will be a half-day and the Meeting will end after lunch. All sessions will be plenary sessions. There will be three Poster sessions.
Invited speakers (confirmed so far): L.H. Andersen, V. Aquilanti, M. Barat, S. Berry, G.D. Billing, M.S. Child, L.S. Cederbaum, P. Crutzen, A. Dalgarno, G. Delgado-Barrio, A. Gonzales-Urena, G. Hancock, S. Haroche, Z. Hennis, J. Jortner, Y.T. Lee, C. Leforestier, R.D. Levine, C. Lifshitz, N. Makri, H.-D. Meyer, W.H. Miller, H. Nakamura, C.Y. Ng, B.J. Orr, M. Parrinello, U. Peskin, A.J.C. Varandas, and D. Yarkony.
Progressive Registration Fee Deadlines: Normal rate: Up to 31/03/00: US $200; up to 31/05/00: US $250 ; after 01/06/00: US $300. Student rate: Up to 31/03/00: US $125; up to 31/05/00: US $150; after 01/06/00: US $175. Accompanying person: US $50
Call for papers The topics covered by the conference include Reactive molecular collisions, Atmospheric chemistry, Astro-chemistry, Laser chemistry, Collisional energy exchange, Ion-molecule interactions, Electronic nonadiabatic effects and transitions, Collisions with surfaces and adsorbed species, Cluster studies, Photodissociation dynamics, Photodissociation and desorption at surfaces, Control of chemical processes, Doubly charged negative ions, Reactions in solution, Plasma, Ultra-cold atomic and molecular collisions, Resonance phenomena in molecular systems, Dissociative collisions, Unimolecular reactions, Molecular dynamics in dissipative systems. The submission of abstracts is encouraged. Some contributions may be selected for oral presentation. Deadline for abstracts: July 15, 2000.
A Last Announcement has been circulated, with registration form and hotel reservation form. Should you wish to receive the Announcement or if you want to inquire about the meeting please contact Michael Baer ( mmbaer@netvision.net.il ).
You are invited to visit the Conference website: http://www.fh.huji.ac.il/~roib/MOLEC/index.htm The Registration Form and the Form for Hotel Accommodations bookings may be downloaded from that site.
8. Chemistry and the Internet - ChemInt2000
This note is to announce that web Abstract Submission form is now operational for the Chemistry and the Internet (ChemInt2000) meeting being held in at Georgetown University in Washington DC on September 23-26, 2000.
The draft program of invited speakers, workshops, markup langauge tutorial, and panel sessions is available on the meeting web site:
You are urged to look at the program and to consider submitting a poster paper to the meeting. Some 8-10 of poster papers will be selected for oral presentation at the meeting.
The main lecturers for the meeting will be:
Rene DePlanque, FIZ - Berlin
Jim Myers, Pacific Northwest Labs
Glen Hopkinson, Synopsys Scientific Systems
Wolf-Dietrich Ihlenfeldt, University of Erlangen-Nurenberg
Jim Ostell, NIH/NLM/NCBI
Engelbert Zass, ETH
Henry Rzepa, Imperial College, London
Peter Murray-Rust, Nottingham University
The (current) corporate sponsors for the meeting are:
SciVision
Internet Journal of Chemistry
Technical Sponsors are:
ACS CINF Division, ACS COMP Division, The Chemical Structure Association (CSA), Georgetown University - Department of Chemistry, Special Libraries Association (SLA) Chemistry Division, Royal Society of Chemistry (RSC)
9. Workshops at ChemInt2000
This note is to announce that three workshops have been arranged as part of the ChemInt2000 meeting program. These will be workshops by MDL, ACD, and SciVision. The ChemInt2000 meeting web Abstract Submission form is operational for the Chemistry and the Internet (ChemInt2000) meeting being held in at Georgetown University in Washington DC on September 23-26, 2000.
The draft program of invited speakers, workshops, markup langauge tutorial, and panel sessions (one on e-commerce chaired by Wendy Warr and one on Intranets and Internets chaired by Tom Pierce) is available on the meeting web site:
You are urged to look at the program and to consider submitting a poster paper to the meeting. Some 8-10 of poster papers will be selected for oral presentation at the meeting.
The main lecturers for the meeting will be:
Rene DePlanque (FIZ - Berlin), Jim Myers (Pacific Northwest Labs), Glen Hopkinson (Synopsys Scientific Systems), Wolf-Dietrich Ihlenfeldt (University of Erlangen-Nurenberg), Miloslav Nic (ICT Prague), Jim Ostell (NIH/NLM/NCBI), Engelbert Zass (ETH), Henry Rzepa (Imperial College, London), Peter Murray-Rust (Nottingham University)
10. Stereodynamics of Chemical Reactions
December 1 to 5, 2000
El Escorial (Madrid). SPAIN
Second Announcement
Format and Scope
This conference follows in scope and format the former meetings on Stereodynamics held in Jerusalem (1986), Bad Honnef (1988), Santa Cruz (1990), Assisi (1992), Gif sur Yvette (1994) and Bielefeld (1996). The programme comprises invited lectures, posters and oral presentations in a spacious surrounding with ample time for discussion. The conference covers the field of reactive and non-reactive collisions involving atoms, molecules and surfaces of solids and liquids as well as half collisions. Major topics to be addressed are:
* Stereocontrol of reactive collisions in the gas phase, on surfaces and in liquids.
* Orientation effects in beam-surface reactions.
* Brute force oriented molecules: collisions, spectroscopy, theory.
* Effect of molecular orientation and alignment in non-reactive collisions.
* Stereodynamics of photo-initiated reactions in Van der Waals complexes.
* Collisions of orbitally aligned atoms.
* In-situ measurements of orientation and alignment.
* New Techniques.
General Information
Programme
Arrival is at 1st of December, departure at 5th of December. The scientific programme will consist of invited lectures (30 to 40 min in length), poster and oral presentations (20 min in length) of a few contributed papers. Social events will include a visit to the Monastery of El Escorial, a visit to the Prado Museum in Madrid, and the Conference Dinner.
Proceedings
The conference proceedings will be published in a special issue of a Scientific Journal. All manuscripts should represent new and unpublished work. The contributions will be reviewed in the normal manner. The abstracts of invited lectures and contributed papers will be collected in the book of abstracts. Copies of it will be distributed to the participants.
Registration fee
The Registration fee is 60.000 pts., including conference kit, full board, visit to the Prado Museum, visit to the Monastery and Conference Dinner. Registration fee may be paid from August, 2000 on, to the following account:
Branch: Caja de Madrid 2038 1735 91
Account Nº: 6000402693
Please send a copy of the bank transfer to:
Dr. Stefan Skowronek
Instituto Pluridisciplinar
Universidad Complutense of Madrid
Juan XXIII, 1
28040 Madrid
Conference fellowships are available upon request from Prof. A. González Ureña
Important Dates
* Payment and Registration 31st of August 2000
* Call for papers including further information and a list of invited speakers 30th of June 2000
Scientific Committee
R. Anderson (USA), V. Aquilanti (I), A. González Ureña (E), R.D. Levine (IL), H.J. Loesch (D), D. Parker (NL), J. Simons (UK), B. Soep (F), S. Stolte (NL), R. Vetter (F)
Local organisation
Angel González Ureña,
E-mail: stereody@eucmos.sim.ucm.es
Stefan Skowronek: Secretary of the Organising
Committee.
Asunción García Sousa: Secretary.
Address: Instituto Pluridisciplinar. Unidad de
Láseres y Haces Moleculares. Pº Juan XXIII-1. 28040-Madrid. SPAIN.
Fax: ++34.91.394 3265
11. New Frontiers in Chemical Reaction Dynamics
"New Frontiers in Chemical Reaction Dynamics" will be held at the Pacifichem Meeting next December (December 14-19) in Hawaii. The organizers of this symposium are: Hiroki Nakamura, George Schatz, Kopin Liu, Robert Continetti, and Toshinori Suzuki.
This symposium has been organized to discuss the present status and the future prospects of chemical reaction dynamics with the participation of both the theorists and experimentalists. Rapid progress that has been made in the understanding of the triatomic model reactions will be reviewed, and
the new research directions toward complex multidimensional systems will be
highlighted in the discussion and presentations. The topics will include:
(i) dynamical stereochemistry (orbital alignment, steric effect, and vector correlations),
(ii) dynamics involving multiple potential energy surfaces (interference effects, non-adiabatic transitions),
(iii) multidimensional dynamics (reactions of tetraatomic system or larger, calculations of cumulative reaction probabilities, statistical and non-statistical nature of the dynamics),
(iv) imaging chemical dynamics (transition state spectroscopy, ultrafast spectroscopy, multiparticle coincidence)
(v) laser-control of molecular processes (including intense field dynamics).
Invited speakers (confirmed so far) are:
Neumark,Leone,Suits,Houston,Haydon,Miller,Truhlar,Skodje,Yarkony, Albert,Seideman, Lee,Yang, Mebel,Park,Smith, Kasai, Matsumi, Nagata, Kondow, Takatsuka, Aoyagi, and Takayanagi.
We welcome contributed presentations. Details of the meeting can be found at the ACS web page ( http://www.acs.org ) and in publications of the cosponsoring organizations in Japan, Canada, Taiwan, Australia, Korea.
12. 2001 GORDON CONFERENCE ON MOLECULAR ENERGY TRANSFER
January 14-19, 2001, Sheraton Harbortown Resort Ventura, California
Co-chairs: Joel M. Bowman (Emory University)
Hanna Reisler (University of Southern California)
Updated information can be found at http://www.grc.uri.edu/programs/2001/met.htm
13. 6th Winter Gordon Research Conference on GASEOUS IONS: STRUCTURES, ENERGETICS, AND REACTIONS
February 25 - March 2, 2001, Ventura Beach Hotel, Ventura California
Peter B. Armentrout, Chair, Department of Chemistry, University of Utah, 315 S. 1400 E. Rm 2020, Salt Lake City, UT 84112, USA
armentrout@chemistry.utah.edu , 801 581 7885, FAX: 801 581-8433
Terry B. McMahon, Vice Chair, Department of Chemistry, University of Waterloo , Waterloo, ON N2L 3G1, Canada
mcmahon@uwaterloo.ca , 519 888-4591, FAX: 519 746-0435
For complete information, visit http://www.grc.uri.edu/programs/2001/gaseous.htm or http://www.chem.utah.edu/ion-grc/ .
The 2001 Gordon Conference on Gaseous Ions: Structures, Energetics, and Reactions is the 6th in the series of biennial conference established to provide a forum for scientific exchange among individuals interested in the spectroscopy and structures of ions, the thermochemistry of ionic processes, and the mechanisms and dynamics of gaseous ion reactions. The program for the 2001 conference will draw from a selection of areas of intense current interest, and includes sessions on Analytical Mass Spectrometry, Clusters, Environment and Aerosols, Ion Spectroscopy, Ions in Nanodroplets, Noncovalent Ion Interactions, Organic Ions, and Organometallic Ion Chemistry.
The conference will begin on Sunday evening with both an oral and a poster session. Poster sessions will continue on Monday, Tuesday, and Wednesday evenings. The Conference will climax on Thursday evening with a banquet, an after dinner speaker, and an after dinner dance. Departure is on Friday morning.
Application forms for the Gordon Conference must be submitted to the GRC office, University of Rhode Island, P.O. Box 984, West Kingston, RI 02892-0984. Tel. 401 783-4011 (-7644 fax). Online applications are encouraged at http://www.grc.uri.edu . Applications are encouraged by January 14, 2001. Deadline for registration at reduced rate is 4 weeks prior to the conference, i.e. January 28, 2001.
Program at a Glance
Sunday Evening Ions in Nanodroplets: Evan Williams/ Gereon Niedner-Schatteberg/ Jack Beauchamp
Monday Morning Organometallic Ion Chemistry: Karl Irikura/ Doreen Leopold/ Atsushi Nakajima/ Jim Weisshaar
Monday Evening Environment and Aerosols: Al Viggiano/ Dave Feller/ Tom Baer
Tuesday Morning Analytical Mass Spectrometry: Veronica Bierbaum/ Alan Marshall/ Julie Leary/ Michael Gross
Tuesday Evening Clusters: Will Castleman/ Kent Ervin/ Lai-Sheng Wang
Wednesday Morning Organic Ions: Tom Morton/ Frank Turecek/ Richard O'Hair/ Einar Uggerud
Wednesday Evening Noncovalent Ion Interactions: Christoph Schalley/ Gilles Ohanessian/ Mary Rodgers
Thursday Morning Ion Spectroscopy: Mike Duncan/ Benoit Simard/ Mattanjah de Vries/ Bernd. Brutschy
Thursday Evening Helmut Schwarz
14. Faraday Discussion No. 118: Cluster Dynamics
University of Durham, UK 18-20 April 2001
Studies of atomic and molecular clusters are one of the growth areas of modern chemical physics. The last few years have seen major advances in both experimental and theoretical methods, and it is now possible to prepare and characterize a wide range of finite-size systems.
Abstracts of papers containing new, unpublished work (not reviews) are invited for consideration by the Organising Committee. Summaries of about 300 words should be submitted no later than 31 March 2000 to Prof. Jeremy M Hutson, Department of Chemistry, University of Durham, Durham, DH1 3LE, UK (email J.M.Hutson@durham.ac.uk )
The Discussion will be focussed on studies that deal specifically with dynamical processes in a cluster environment and the interactions that determine them. The term "dynamics" will be interpreted widely, to include spectroscopic studies that probe multiple minima on a potential energy surface. The committee particularly welcomes papers in the following areas:
Reactions of clusters
Reactions induced by clustering
Transition-state spectroscopy
Photodynamics of clusters
Caging effects in clusters
Tunnelling in clusters
Global potential energy surfaces
ORGANISING COMMITTEE:
Professor Jeremy M. Hutson (Chairman) Professor Ad van der Avoird
Professor David C. Clary Professor Peter J. Knowles
Professor Klaus Mueller-Dethlefs Professor Anthony J. Stace
15. XIX INTERNATIONAL SYMPOSIUM ON MOLECULAR BEAMS
Universitá di Roma La Sapienza, June 4-8 2001
Following the tradition of the Molecular Beams meetings devoted to widespread applications od molecular beams coupled with electron, laser and syncroton radiation, conference will be focused on dynamics of collisions, properties of clusters and methods of diagnostic.
Topics to be considered:
For informations, e-mail Professor Anna Giardini
e-mail: giardini@axrma.uniroma1.it
16. XVIIIth Conference on the Dynamics of Molecular Collisions
July 15-20, 2001 Copper Mountain Resort and Conference Center Copper Mountain, Colorado
James T. Muckerman, Chair Department of Chemistry Brookhaven National Laboratory Upton, NY 11973-5000 USA
Laurie J. Butler, Vice-Chair Department of Chemistry University of Chicago Chicago, IL 60607 USA
Description of the Conference
The Dynamics of Molecular Collisions Conference focuses on all aspects of molecular collisions-experimental and theoretical studies of elastic, inelastic, and reactive encounters involving atoms, molecules, ions, clusters, and surfaces-as well as half collisions-photodissociation, photo-induced reaction, and photodesorption. The Conference began as a Gordon Conference in 1965, and though it now operates independently, retains the Gordon Conference format and spirit.
Meeting Site
The meeting will be held at Copper Mountain Resort and Conference Center located 75 miles due west of Denver, Colorado on Interstate 70. Nestled in the heart of the Rocky Mountains, Copper Mountain Resort offers abundant recreational facilities, including 18 holes of championsh