Fast Solvers for Charge Distribution Models on Shared Memory Platforms

SIAM Journal on Scientific Computing ◽

10.1137/18m1224684 ◽

2020 ◽

Vol 42 (1) ◽

pp. C1-C22 ◽

Author(s):

Kurt A. O'Hearn ◽

Abdullah Alperen ◽

Hasan Metin Aktulga

Keyword(s):

Shared Memory ◽

Charge Distribution ◽

Distribution Models ◽

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Continuous charge distribution models of ions in polar media. Part 4.—Planar elliptic ring systems

Journal of the Chemical Society Faraday Transactions 2 Molecular and Chemical Physics ◽

10.1039/f29767201061 ◽

1976 ◽

Vol 72 (0) ◽

pp. 1061-1073 ◽

Author(s):

Parbury P. Schmidt

Keyword(s):

Charge Distribution ◽

Distribution Models ◽

Ring Systems ◽

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Performance optimization of reactive molecular dynamics simulations with dynamic charge distribution models on distributed memory platforms

Proceedings of the ACM International Conference on Supercomputing - ICS '19 ◽

10.1145/3330345.3330359 ◽

2019 ◽

Author(s):

Kurt A. O'Hearn ◽

Abdullah Alperen ◽

Hasan Metin Aktulga

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Charge Distribution ◽

Performance Optimization ◽

Distributed Memory ◽

Distribution Models ◽

Reactive Molecular Dynamics ◽

Dynamic Charge ◽

Dynamics Simulations

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Validation of Charge Distribution Models of Lightning Stepped Leaders from Electric Field Data

1987 IEEE International Symposium on Electromagnetic Compatibility ◽

10.1109/isemc.1987.7570803 ◽

1987 ◽

Author(s):

Subramaniam P.D.R. Nathan ◽

K. Arichandran

Keyword(s):

Electric Field ◽

Charge Distribution ◽

Distribution Models

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Continuous charge distribution models of ions in polar media. Part 2.—Self and interaction energies for soft charged ring systems dissolved in a polar medium

Journal of the Chemical Society Faraday Transactions 2 Molecular and Chemical Physics ◽

10.1039/f29767200171 ◽

1976 ◽

Vol 72 (0) ◽

pp. 171-182 ◽

Author(s):

Parbury P. Schmidt

Keyword(s):

Charge Distribution ◽

Interaction Energies ◽

Distribution Models ◽

Polar Medium ◽

Ring Systems ◽

Polar Media ◽

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Continuous charge distribution models of ions in polar media. Part 1

Journal of the Chemical Society Faraday Transactions 2 Molecular and Chemical Physics ◽

10.1039/f29767200143 ◽

1976 ◽

Vol 72 ◽

pp. 143 ◽

Author(s):

Parbury P. Schmidt ◽

J. M. McKinley

Keyword(s):

Charge Distribution ◽

Distribution Models ◽

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Continuous charge distribution models of ions in polar media. Part 5.—Quantum mechanical treatment of ionic and molecular solvation

Journal of the Chemical Society Faraday Transactions 2 Molecular and Chemical Physics ◽

10.1039/f29787400703 ◽

1978 ◽

Vol 74 (0) ◽

pp. 703-720 ◽

Author(s):

Parbury P. Schmidt

Keyword(s):

Charge Distribution ◽

Mechanical Treatment ◽

Quantum Mechanical ◽

Distribution Models ◽

Quantum Mechanical Treatment ◽

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Rotational dynamics of coumarins in nonassociative solvents: Point dipole versus extended charge distribution models of dielectric friction

The Journal of Chemical Physics ◽

10.1063/1.1395563 ◽

2001 ◽

Vol 115 (10) ◽

pp. 4732-4741 ◽

Author(s):

G. B. Dutt ◽

G. Rama Krishna ◽

Sumathi Raman

Keyword(s):

Charge Distribution ◽

Rotational Dynamics ◽

Point Dipole ◽

Distribution Models ◽

Dielectric Friction ◽

Extended Charge

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Continuous charge distribution models of ions in polar media. Part 3.—The effects of tetragonal and octahedral distortion

Journal of the Chemical Society Faraday Transactions 2 Molecular and Chemical Physics ◽

10.1039/f29767201048 ◽

1976 ◽

Vol 72 (0) ◽

pp. 1048-1060 ◽

Author(s):

Parbury P. Schmidt

Keyword(s):

Charge Distribution ◽

Distribution Models ◽

Polar Media ◽

Octahedral Distortion

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Continuous charge distribution models of ions in polar media. Part 6.—Reltationship between quantum and classical charge distributions

Journal of the Chemical Society Faraday Transactions 2 Molecular and Chemical Physics ◽

10.1039/f29787401407 ◽

1978 ◽

Vol 74 (0) ◽

pp. 1407-1416

Author(s):

Parbury P. Schmidt

Keyword(s):

Charge Distribution ◽

Distribution Models ◽

Charge Distributions ◽

Polar Media ◽

Classical Charge

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Comparison of the Mobile Charge Distribution Models in Mixed Ionic-Electronic Conductors

Journal of The Electrochemical Society ◽

10.1149/1.1789154 ◽

2004 ◽

Vol 151 (10) ◽

pp. A1576 ◽

Author(s):

Zhan Chen

Keyword(s):

Charge Distribution ◽

Mobile Charge ◽

Distribution Models ◽

Mixed Ionic Electronic Conductors ◽

Electronic Conductors

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