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" Parallel computing in computational chemistry : "
Timothy G. Mattson, editor
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BL
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660423
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dltt
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| Title & Author
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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 /\ Timothy G. Mattson, editor
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| Series Statement
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ACS symposium series ;; 592
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viii, 222 pages :: illustrations ;; 24 cm
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| ISBN
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0841231664
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: 9780841231665
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| Bibliographies/Indexes
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Includes bibliographical references and indexes
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| Contents
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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
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| Subject
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Chemistry-- Data processing, Congresses
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Parallel processing (Electronic computers), Congresses
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calcul parallèle
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Chimie - Informatique
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| Dewey Classification
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542/.85/435
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| LC Classification
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QD39.3.E46P32 1995
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| Added Entry
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Mattson, Timothy G.,1958-
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American Chemical Society., Division of Computers in Chemistry
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American Chemical Society., Meeting(207th :1994 :, San Diego, Calif.)
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