From tgm@SSD.intel.com Mon Feb 14 16:29:42 1994 Received: from SSD.intel.com for tgm@SSD.intel.com by www.ccl.net (8.6.4/930601.1506) id PAA25694; Mon, 14 Feb 1994 15:27:05 -0500 Received: from forseti.SSD.intel.com by SSD.intel.com (4.1/SMI-4.1) id AA06837; Mon, 14 Feb 94 12:26:33 PST Received: by forseti.SSD.intel.com (4.1/SMI-4.1) id AA26192; Mon, 14 Feb 94 12:26:30 PST Date: Mon, 14 Feb 94 12:26:30 PST From: "Timothy G. Mattson" Message-Id: <9402142026.AA26192@forseti.SSD.intel.com> To: chemistry@ccl.net Subject: Parallel Comp. Chem. Symposium 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 tgm@ssd.intel.com 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