International Symposium on Computational Molecular Dynamics



 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 $#at#$ 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