Subject: Parallel Comp. Chem. Symposium

From: "Timothy G. Mattson" <[email-masked]>
Date: Mon, 14 Feb 94 12:26:30 PST

Parallel Computing in Computational Chemistry
       =============================================

A symposium sponsored by the American Chemical Society Computers 
in Chemistry Division.

Taking place during the Spring ACS meeting in San Diego, 
March 13- 18.  

Contact Tim Mattson of Intel Corp. Supercomputer Systems 
Division at [email-masked] if you have any questions 
about the symposium.

1. Applications of Parallel Computing  (chair: T. Mattson)
Sunday Morning, March 13.
-----------------------------------------------------------
Direct Applications of Parallel GAMESS.  M.S. Gordon, K. Baldridge, 
M. Schmidt, T. Windus, et.al. 

HYPERCHEM for Parallel Computers. N. S. Ostlund  

TITLE NOT AVAILABLE AT THIS TIME.
C. Singh

Computational Chemistry Applications for the IBM 9076 Scalable
POWERPARALLEL System.  M. Dupuis, S. Chin, S. Kandadai, 
F. Johnston, and J. Wong

Parallel Implementation of the Spartan Electronic
Structure Code.  W.J. Hehre

2. Algorithms (chair: T. Mattson)
Sunday Afternoon, March 13.
---------------------------------
Object Oriented Implementation of Parallel ab initio Programs.
C. L. Janssen and M. Colvin 

Fully Distributed Parallel Algorithms - Molecular Self
Consistent Field Calculations. R. J. Harrison 

Parallel Molecular dynamics simulations of organic materials
S. Plimpton and B. Hencrickson

Fast Parallel Algorithms for Molecular Dynamics Simulation.
A. Windemuth 

Parallel Approaches to  Simulations of Solvated Biopolymers.
C. L. Brooks and W. S. Young

3. Contributed Papers I, Mostly Ab initio (chair: T. Mattson)
Tuesday Morning, March 15
--------------------------------------------------------------
Parallelization of a Multireference Configurations Interaction
Program - the Parallel COLUMBUS Program, H. Lischka

Implementation of GAMESS in Parallel.  T. Windus M.W. Schmidt, 
K.K. Baldridge, J.A. Boatz, and M.S. Gordon

Computational Chemistry on Fujitsu Parallel Computers: First
Experiences. R. Nobes, F. S. Battle, R.A. Edberg, and P.A. Wielopolski

Ab initial quantum chemistry on a workstation cluster.  D. Turner, 
G. Trucks, and M. Frisch

Efficient Parallel Computation of Electron Transfer Resonance 
Matrix Elements between GVB wavefunctions: Algorithm Design and 
Chemical Results.  E. P. Bierwagon, T. R. Coley, and W. A. Goddard  

Parallel and Distributed algorithms for Pseudospectral Electronic 
Structure Calculations. D. Chasman, L. Wang, and R. Friesner

4. Contributed Papers II, Mostly MD  (chair: S. Chin)
Thursday Afternoon, March 17
------------------------------------------------------
Biomolecular Structure Prediction with Parallelized PROTEAN2
and Neural Networks. J. A. Lupo, S. B. Fairchild, R. Pachter, 
and W. Adams

Portable Molecular Dynamics Software for Parallel Computing,
T. Mattson and G. Ravishanker

Particle-Processor Assignment in Parallel Molecular Dynamics.  
W. Scott, F. Muller-Plathe, W. F. van Gunsteren

Classical and Quantum Molecular Dynamics Simulation on 
Distributed memory Massively Parallel Computers. Z. Li, R. 
B. Gerber, and  C.C. Martens

Simulated Annealing simulations for Biopolymer Structure
Prediction.  Z. Wang, R. Pachter, and W. Adams 

Computational Chemistry on Kendall Square Research KSR/Series
Computers.  D. Zirl