Parallel computing in computational chemistry : developed from a symposium sponsored by the Division of Computers in Chemistry at the 207th National Meeting of the American Chemical Society, San Diego, California, March 13-17, 1994 /
| Corporate Authors: | , |
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| Other Authors: | |
| Format: | eBook |
| Language: | English |
| Published: |
Washington, DC :
American Chemical Society,
1995.
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| Series: | ACS symposium series ;
592. |
| Subjects: | |
| Online Access: | Connect to the full text of this electronic book |
Table of Contents:
- Parallel computing / Timothy G. Mattson
- Parallel implementation of the electronic structure code GAMESS / Theresa L. Windus, Michael W. Schmidt, and Mark S. Gordon
- Applications of parallel GAMESS / Kim K. Baldridge, Mark S. Gordon, Jan H. Jensen, Nikita Matsunaga, Michael W. Schmidt, Theresa L. Windus, Jerry A. Boatz, and Thomas R. Cundari
- Object-oriented implementation of parallel ab initio programs / C.L. Janssen, E.T. Seidl, and M.E. Colvin
- Ab initio quantum chemistry on a workstation cluster / David P. Turner, Gary W. Trucks, and Michael J. Frisch
- The parallelization of a general ab initio multireference configuration interaction program : the COLUMBUS program system / Hans Lischka, Holger Dachsel, Ron Shepard, and Robert J. Harrison
- Parallel calculation of electron-transfer and resonance matrix elements of Hartree-Fock and generalized valence bond wave functions / Erik P. Bierwagen, Terry R. Coley, and William A. Goddard, III
- Promises and perils of parallel semiempirical quantum methods / Kim K. Baldridge
- Parallel molecular dynamics algorithms for simulation of molecular systems / Steve Plimpton and Bruce Hendrickson
- Portable molecular dynamics software for parallel computing / Timothy G. Mattson and Ganesan Ravishanker
- Advanced algorithms for molecular dynamics simulation : the program PMD / Andreas Windemuth
- Parallelization of Poisson-Boltzmann and Brownian dynamics calculations / Andrew Ilin, Babak Bagheri, L. Ridgway Scott, James M. Briggs, and J. Andrew McCammon
- Classical and quantum molecular dynamics simulation on distributed-memory massively parallel computers / Zhiming Li, R. Benny Gerber, and Craig C. Martens
- Biomolecular structure prediction using the double-iterated Kalman filter and neural networks / James A. Lupo, Ruth Pachter, Steven B. Fairchild, and W. Wade Adams.