Export to Refworks Export to EndNote Email
Report an Issue

Parallel computing in computational chemistry [electronic resource] / Timothy G. Mattson, editor

Published:
Washington, DC : American Chemical Society, 1995.
Physical Description:
viii, 222 pages : illustrations ; 24 cm.
Additional Creators:
Mattson, Timothy G., 1958-, American Chemical Society. Division of Computers in Chemistry, and American Chemical Society. Meeting (207th : 1994 : San Diego, Calif.)
Access Online

Availability

I Want It

Finding items...

Series:
Restrictions on Access:
License restrictions may limit access.
Contents:
Machine generated contents note: 1.Parallel Computing / Timothy G. Mattson -- 2.Parallel Implementation of the Electronic Structure Code GAMESS / Mark S. Gordon / Theresa L. Windus / Michael W. Schmidt -- 3.Applications of Parallel GAMESS / Mark S. Gordon / Nikita Matsunaga / Jan H. Jensen / Kim K. Baldridge / Michael W. Schmidt / Theresa L. Windus / Jerry A. Boatz / Thomas R. Cundari -- 4.Object-Oriented Implementation of Parallel Ab Initio Programs / E. T. Seidl / C. L. Janssen / M. E. Colvin -- 5.Ab Initio Quantum Chemistry on a Workstation Cluster / Michael J. Frisch / David P. Turner / Gary W. Trucks -- 6.The Parallelization of a General Ab Initio Multireference Configuration Interaction Program: The COLUMBUS Program System / Hans Lischka / Ron Shepard / Holger Dachsel / Robert J. Harrison -- 7.Parallel Calculation of Electron-Transfer and Resonance Matrix Elements of Hartree-Fock and Generalized Valence Bond Wave Functions / Erik P. Bierwagen / Terry R. Coley / William A. Goddard III -- 8.Promises and Perils of Parallel Semiempirical Quantum Methods / Kim K. Baldridge -- 9.Parallel Molecular Dynamics Algorithms for Simulation of Molecular Systems / Steve Plimpton / Bruce Hendrickson -- 10.Portable Molecular Dynamics Software for Parallel Computing / Ganesan Ravishanker / Timothy G. Mattson -- 11.Advanced Algorithms for Molecular Dynamics Simulation: The Program PMD / Andreas Windemuth -- 12.Parallelization of Poisson-Boltzmann and Brownian Dynamics Calculations / J. Andrew McCammon / Babak Bagheri / James M. Briggs / L. Ridgway Scott / Andrew Ilin -- 13.Classical and Quantum Molecular Dynamics Simulation on Distributed-Memory Massively Parallel Computers / Craig C. Martens / Zhiming Li / R. Benny Gerber -- 14.Biomolecular Structure Prediction Using the Double-Iterated Kalman Filter and Neural Networks / Steven B. Fairchild / Ruth Pachter / James A. Lupo / W. Wade Adams.
Subject(s):
Genre(s):
ISBN:
0841231664 (acid-free paper)
Note:
"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."
Bibliography Note:
Includes bibliographical references and indexes.
View MARC record | catkey: 8045761