Parallel Computing in Computational Chemistry - ACS Symposium Series
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Applications of Parallel GAMESS

Parallel Computing in Computational Chemistry - ACS Symposium Series ◽

10.1021/bk-1995-0592.ch003 ◽

1995 ◽

pp. 29-46 ◽

Cited By ~ 2

Author(s):

Kim K. Baldridge ◽

Mark S. Gordon ◽

Jan H. Jensen ◽

Nikita Matsunaga ◽

Michael W. Schmidt ◽

...

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Advanced Algorithms for Molecular Dynamics Simulation

Parallel Computing in Computational Chemistry - ACS Symposium Series ◽

10.1021/bk-1995-0592.ch011 ◽

1995 ◽

pp. 151-169 ◽

Cited By ~ 12

Author(s):

Andreas Windemuth

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Dynamics Simulation

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Parallel Calculation of Electron-Transfer and Resonance Matrix Elements of Hartree—Fock and Generalized Valence Bond Wave Functions

Parallel Computing in Computational Chemistry - ACS Symposium Series ◽

10.1021/bk-1995-0592.ch007 ◽

1995 ◽

pp. 84-96 ◽

Cited By ~ 3

Author(s):

Erik P. Bierwagen ◽

Terry R. Coley ◽

William A. Goddard

Keyword(s):

Electron Transfer ◽

Valence Bond ◽

Wave Functions ◽

Matrix Elements ◽

Parallel Calculation ◽

Hartree Fock ◽

Generalized Valence Bond

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Biomolecular Structure Prediction Using the Double-Iterated Kalman Filter and Neural Networks

Parallel Computing in Computational Chemistry - ACS Symposium Series ◽

10.1021/bk-1995-0592.ch014 ◽

1995 ◽

pp. 202-210 ◽

Cited By ~ 3

Author(s):

James A. Lupo ◽

Ruth Pachter ◽

Steven B. Fairchild ◽

W. Wade Adams

Keyword(s):

Neural Networks ◽

Kalman Filter ◽

Structure Prediction ◽

Biomolecular Structure

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Portable Molecular Dynamics Software for Parallel Computing

Parallel Computing in Computational Chemistry - ACS Symposium Series ◽

10.1021/bk-1995-0592.ch010 ◽

1995 ◽

pp. 133-150 ◽

Cited By ~ 2

Author(s):

Timothy G. Mattson ◽

Ganesan Ravishanker

Keyword(s):

Molecular Dynamics ◽

Parallel Computing

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The Parallelization of a General Ab Initio Multireference Configuration Interaction Program

Parallel Computing in Computational Chemistry - ACS Symposium Series ◽

10.1021/bk-1995-0592.ch006 ◽

1995 ◽

pp. 75-83 ◽

Cited By ~ 1

Author(s):

Hans Lischka ◽

Holger Dachsel ◽

Ron Shepard ◽

Robert J. Harrison

Keyword(s):

Ab Initio ◽

Configuration Interaction

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Parallel Implementation of the Electronic Structure Code GAMESS

Parallel Computing in Computational Chemistry - ACS Symposium Series ◽

10.1021/bk-1995-0592.ch002 ◽

1995 ◽

pp. 16-28 ◽

Cited By ~ 3

Author(s):

Theresa L. Windus ◽

Michael W. Schmidt ◽

Mark S. Gordon

Keyword(s):

Electronic Structure ◽

Parallel Implementation ◽

Structure Code

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Parallel Molecular Dynamics Algorithms for Simulation of Molecular Systems

Parallel Computing in Computational Chemistry - ACS Symposium Series ◽

10.1021/bk-1995-0592.ch009 ◽

1995 ◽

pp. 114-132 ◽

Cited By ~ 16

Author(s):

Steve Plimpton ◽

Bruce Hendrickson

Keyword(s):

Molecular Dynamics ◽

Molecular Systems ◽

Parallel Molecular Dynamics

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Author Index

Parallel Computing in Computational Chemistry - ACS Symposium Series ◽

10.1021/bk-1995-0592.ix001 ◽

1995 ◽

pp. 213-213

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Promises and Perils of Parallel Semiempirical Quantum Methods

Parallel Computing in Computational Chemistry - ACS Symposium Series ◽

10.1021/bk-1995-0592.ch008 ◽

1995 ◽

pp. 97-113

Author(s):

Kim K. Baldridge

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Parallel Computing in Computational Chemistry - ACS Symposium SeriesLatest Publications

TOTAL DOCUMENTS

H-INDEX

Published By American Chemical Society

Applications of Parallel GAMESS

Advanced Algorithms for Molecular Dynamics Simulation

Parallel Calculation of Electron-Transfer and Resonance Matrix Elements of Hartree—Fock and Generalized Valence Bond Wave Functions

Biomolecular Structure Prediction Using the Double-Iterated Kalman Filter and Neural Networks

Portable Molecular Dynamics Software for Parallel Computing

The Parallelization of a General Ab Initio Multireference Configuration Interaction Program

Parallel Implementation of the Electronic Structure Code GAMESS

Parallel Molecular Dynamics Algorithms for Simulation of Molecular Systems

Author Index

Promises and Perils of Parallel Semiempirical Quantum Methods

Parallel Computing in Computational Chemistry - ACS Symposium Series
Latest Publications