Subject: International Symposium on Computational Molecular Dynamics

From: Evi Goldfield <[email-masked]>
Date: Wed, 03 Aug 94 10:11:22 -0400

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:  [email-masked]

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:	[email-masked] 

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:   [email-masked]