From evi -8 at 8- TC.Cornell.EDU Wed Aug 3 10:21:52 1994 Received: from tiberius.tc.cornell.edu for evi -x- at -x- TC.Cornell.EDU by www.ccl.net (8.6.9/930601.1506) id KAA10705; Wed, 3 Aug 1994 10:05:50 -0400 Received: (from evi#* at *#localhost) by tiberius.tc.cornell.edu (8.6.9/8.6.6) id KAA54867; Wed, 3 Aug 1994 10:11:23 -0400 Message-Id: <199408031411.KAA54867.,at,.tiberius.tc.cornell.edu> To: chemistry[ AT ]ccl.net Subject: International Symposium on Computational Molecular Dynamics Date: Wed, 03 Aug 94 10:11:22 -0400 From: Evi Goldfield International Symposium on Computational Molecular Dynamics sponsored by University of Minnesota Supercomputer Institute Computers in Chemistry Division, American Chemical Society Division of Computational Physics, American Physical Society Physical Chemistry Division, American Chemical Society October 24-26, 1994 University of Minnesota Supercomputer Institute 1200 Washington Avenue South Minneapolis, Minnesota Symposium organizers: Jan Almloef (University of Minnesota), Evelyn Goldfield (Cornell Theory Center), M. Katharine Holloway (Merck Research Laboratories), William Jorgensen (Yale University), Peter Rossky (University of Texas at Austin), George Schatz (Northwestern University), and Donald Truhlar (University of Minnesota) The University of Minnesota Supercomputer Institute is hosting an international symposium on Computational Molecular Dynamics, Monday- through-Wednesday, October 24-26, 1994 (with a reception on the 23rd), at the Hubert H. Humphrey Center located on the University of Minnesota campus in Minneapolis. The coverage of the symposium will include all aspects of the dynamics of molecular systems and the use of molecular dynamics simulations-quantum and classical, few-body and many-body, physics and chemistry. The current list of invited speakers include: Bruce Berne, Chemistry Department, Columbia University, "Multiple Time Scale Methods in Classical and Quantum Molecular Dynamics" Emily A. Carter, Chemistry & Biochemistry Department, University of California-Los Angeles, "Algorithmic Advances in Ab Initio Molecular Dynamics via Molecular Wavefunctions" James Chelikowsky, Chemical Engineering & Materials Science, University of Minnesota, "Quantum Simulations of Clusters Using the Finite-Difference-Pseudopotential Method" Paulette Clancy, Department of Chemical Engineering, Cornell University, "Harnessing the Power of Molecular Simulation for the Study of Crystal Growth" Jean Durup, Laboratoire de Physique Quantique, Universit Paul Sabatier, Toulouse, FRANCE, "Molecular Dynamics Computation of Free Energy Variations in the Dissociation of a Protein-Protein Complex in Solution" Michael Gillan, Department of Physics, University of Keele, UNITED KINGDOM, "Massively Parallel Molecular Dynamics" Trygve Helgaker, Department of Chemistry, University of Oslo, NORWAY, "The Direct Integration of Ab Initio Potential Energy Surfaces-Is It a Practical Proposition?" Jan Hermans, Department of Biochemistry and Biophysics, University of North Carolina-Chapel Hill, and North Carolina Supercomputing Center, "Simulations of Peptide Structure: Doing Experiments with Theory" Michael L. Klein, Chemistry Department, University of Pennsylvania, "Dynamical Studies of Expanded Metal Compounds" Ronnie Kosloff, The Hebrew University, ISRAEL, "Propagation Methods for Quantum Time Dependent Molecular Dynamics" Uzi Landman, School of Physics, Georgia Tech, "Classical and Quantum MD Simulations of Interfacial Phenomena, Collisions, and Clusters" Claude Leforestier, Laboratoire de Chimie Thorique, Universit de Paris Sud, FRANCE, "L2 Method Approach to Rate Constant Calculations. Applications to the H + O2 HO + O Combustion Reaction" Peter Lomdahl, Los Alamos National Laboratory, "Multi-Million Particle Molecular Dynamics on the CM-5" Paul Madden, Physical Chemistry Laboratory, UNITED KINGDOM, "Molecular Dynamics Simulation of 'Covalent' 'Ionic' Systems: Structure and Dynamics in Strong Liquids" Craig Martens, Department of Chemistry, University of California- Irvine, "Simulation and Theory of Ultrafast Dynamics in Clusters and Condensed Phases" Ken Merz, Department of Chemistry, Penn State University, "Computer Simulation of Reactive Processes Using Coupled Quantum Mechanical/Molecular Mechanical Methods" Daniel Neuhauser, Department of Chemistry, University of California- Los Angeles, "Exact Calculations for Four Atom Rearrangement Reactions" Michele Parrinello, Max-Planck-Institut fuer Festkoerperforschung, GERMANY, "Ab Initio Molecular Dynamics Simulation of Water and Aqua Solutions" David Pearlman, Vertex Pharmaceuticals, "How Can Free Energy Simulations Be Made More Reliable?" Montgomery Pettitt, Department of Chemistry, University of Houston, "Molecular Dynamics of Myoglobin in Solution" Tamar Schlick, New York University and Howard Hughes Medical Institute, "New Algorithmic Approaches for Molecular Dynamics" Terry Stouch, Bristol Meyers Squibb, "Molecular Dynamics Simulations of Biomembranes: Membrane Protein Dynamics and Drug Permeation" Julian Tirado-Rives, Department of Chemistry, Yale University, "MD Simulations of Protein Dynamics and Unfolding in Solution" Steve Walch, NASA Ames Research Center, "Computed Potential Energy Surfaces and Minimum Energy Paths for Chemical Reactions" John Zhang, Department of Chemistry, New York University, "Time- Dependent Quantum Dynamics Studies for Chemical Reactions" In addition to the invited talks, there will also be poster papers to contribute to what we anticipate will be a fruitful exchange of information among a broader group of computational chemists and physicists than one usually encounters at a single meeting. Contributed poster papers are invited and strongly encouraged. Confirmed poster contributors at this date include Jan Almloef, H. Ted Davis (University of Minnesota), David Ferguson (University of Minnesota), Evelyn Goldfield, J. Woods Halley (University of Minnesota), Lester Harris (Abbott Northwestern Hospital), Peter Rossky, George Schatz, and Donald Truhlar. Persons who wish to present a poster should send a one-page abstract by August 15, 1994. Late posters will be accepted on a "space available basis". The registration fee for the symposium is $150 for registrations received prior to September 30, and $175 after September 30. A 10 percent discount will be given to members of the cosponsoring divisions of the American Physical Society and American Chemical Society, listed at the top. To receive more information regarding the meeting, including a list of lecture titles, contact the Symposium Administrator: Michael J. Olesen Supercomputer Institute University of Minnesota 1200 Washington Avenue South Minneapolis, MN 55415 phone: (612) 624-1356 fax: (612) 624-8861 electronic mail: olesen -x- at -x- msi.umn.edu PREREGISTRATION IS REQUIRED REGISTRATION FORM International Symposium on Computational Molecular Dynamics sponsored by the University of Minnesota Supercomputer Institute in cooperation with the Division of Computational Physics, American Physical Society; the Computers in Chemistry Division, American Chemical Society; and the Physical Chemistry Division, American Chemical Society October 24-26, 1994 to be held at the Hubert H. Humphrey Center Minneapolis, Minnesota The registration fee for the symposium is $150 for registrations received prior to September 30, and $175 after September 30. A 10 percent discount will be given to members of the cosponsoring divisions of the American Physical Society and American Chemical Society, listed at the top. Please register the following person for the workshop: Prof. | | Dr. | | Mr. | | Ms. | | First and Last Name: department: college/university/company: street address: city, state, zip / country: Telephone number: Fax number: Electronic mail address: | | I wish to present a poster paper | | Enclosed is the abstract for the poster paper | | will submit the abstract by the August 15, 1994 deadline | | I do not wish to present a poster paper Return completed form and registration fee to: Michael Olesen Symposium Administrator Supercomputer Institute 1200 Washington Avenue South Minneapolis, MN 55415 Tel: (612) 624-1356 Fax: (612) 624-8861 E-mail: olesen(+ at +)msi.umn.edu The registration fee includes a reception on Sunday night October 23, a banquet on Monday night at the Whitney Hotel, and group lunches on Monday, October 24, Tuesday, October 25, and Wednesday October 26 at the Hubert H. Humphrey Institute. If, after you register, you discover you cannot attend, please cancel your registration so that we can make the space available to another participant. SPACE IS LIMITED. PREREGISTRATION IS REQUIRED. Please e-mail me the e-mail versions of our meeting announcment and registration form. Don - -- Michael J. Olesen Research Programs Administrator University of Minnesota Supercomputer Institute 1200 Washington Avenue South Minneapolis, MN 55415 office: (612) 624-1356 fax: (612) 624-8861 email: olesen \\at// msi.umn.edu