Acceleration of the canonical molecular dynamics simulation by the particle mesh Ewald method combined with the multiple time-step integrator algorithm

Chemical Physics Letters ◽

10.1016/s0009-2614(99)00930-6 ◽

1999 ◽

Vol 313 (1-2) ◽

pp. 261-266 ◽

Author(s):

Masaaki Kawata ◽

Masuhiro Mikami

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Dynamics Simulation ◽

Multiple Time ◽

Time Step ◽

Particle Mesh Ewald ◽

Multiple Time Step ◽

Download Full-text

Corrigendum to “Acceleration of the canonical molecular dynamics simulation by the particle mesh Ewald method combined with the multiple time-step integrator algorithm”

Chemical Physics Letters ◽

10.1016/s0009-2614(99)01408-6 ◽

2000 ◽

Vol 317 (3-5) ◽

pp. 515 ◽

Author(s):

Masaaki Kawata ◽

Masuhiro Mikami

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Dynamics Simulation ◽

Multiple Time ◽

Time Step ◽

Particle Mesh Ewald ◽

Multiple Time Step ◽

Download Full-text

Multiple time step nonequilibrium molecular dynamics simulation of the rheological properties of liquid n‐decane

The Journal of Chemical Physics ◽

10.1063/1.470896 ◽

1996 ◽

Vol 104 (1) ◽

pp. 255-262 ◽

Author(s):

S. T. Cui ◽

P. T. Cummings ◽

H. D. Cochran

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Rheological Properties ◽

Dynamics Simulation ◽

Nonequilibrium Molecular Dynamics ◽

Multiple Time ◽

Time Step ◽

Multiple Time Step ◽

Nonequilibrium Molecular Dynamics Simulation

Download Full-text

Multiple time step molecular dynamics simulation for interaction between dislocations and grain boundaries

Acta Mechanica Sinica ◽

10.1007/s10409-005-0050-x ◽

2005 ◽

Vol 21 (4) ◽

pp. 371-379 ◽

Author(s):

Xiaoyan Li ◽

Wei Yang

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Grain Boundaries ◽

Dynamics Simulation ◽

Multiple Time ◽

Time Step ◽

Multiple Time Step

Download Full-text

Computationally efficient canonical molecular dynamics simulations by using a multiple time-step integrator algorithm combined with the particle mesh Ewald method and with the fast multipole method

Journal of Computational Chemistry ◽

10.1002/(sici)1096-987x(200002)21:3<201::aid-jcc4>3.0.co;2-# ◽

2000 ◽

Vol 21 (3) ◽

pp. 201-217 ◽

Author(s):

Masaaki Kawata ◽

Masuhiro Mikami

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Fast Multipole Method ◽

Multiple Time ◽

Computationally Efficient ◽

Time Step ◽

Particle Mesh Ewald ◽

Multiple Time Step ◽

Ewald Method ◽

Dynamics Simulations

Download Full-text

Ewald summation and multiple time step methods for molecular dynamics simulation of biological molecules

Journal of Molecular Structure THEOCHEM ◽

10.1016/s0166-1280(99)00314-0 ◽

2000 ◽

Vol 530 (3) ◽

pp. 237-243 ◽

Author(s):

Y. Komeiji

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Biological Molecules ◽

Dynamics Simulation ◽

Multiple Time ◽

Ewald Summation ◽

Time Step ◽

Multiple Time Step

Download Full-text

Effect of periodic box size on aqueous molecular dynamics simulation of a DNA dodecamer with particle-mesh Ewald method

Biophysical Journal ◽

10.1016/s0006-3495(97)78884-2 ◽

1997 ◽

Vol 72 (6) ◽

pp. 2395-2397 ◽

Author(s):

O.N. de Souza ◽

R.L. Ornstein

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Dynamics Simulation ◽

Particle Mesh Ewald ◽

Ewald Method ◽

Download Full-text

Erratum: “Efficient multiple-time-step integrators with distance-based force splitting for particle-mesh-Ewald molecular dynamics simulations” [J. Chem. Phys. 116, 5971 (2002)]

The Journal of Chemical Physics ◽

10.1063/1.1487820 ◽

2002 ◽

Vol 117 (4) ◽

pp. 1927-1927

Author(s):

X. Qian ◽

T. Schlick

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Chem Phys ◽

Multiple Time ◽

Time Step ◽

Particle Mesh Ewald ◽

Multiple Time Step ◽

Dynamics Simulations

Download Full-text

A smooth-particle mesh Ewald method for DL_POLY molecular dynamics simulation package on the Fujitsu VPP700

Journal of Computational Chemistry ◽

10.1002/1096-987x(200010)21:13<1187::aid-jcc7>3.0.co;2-7 ◽

2000 ◽

Vol 21 (13) ◽

pp. 1187-1191 ◽

Author(s):

Kholmirzo Kholmurodov ◽

William Smith ◽

Kenji Yasuoka ◽

Tom Darden ◽

Toshikazu Ebisuzaki

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Dynamics Simulation ◽

Particle Mesh Ewald ◽

Ewald Method ◽

Simulation Package

Download Full-text

412 Implementation and Evaluation of Particle Mesh Ewald Method on GPU for Molecular Dynamics Simulation

The Proceedings of The Computational Mechanics Conference ◽

10.1299/jsmecmd.2009.22.756 ◽

2009 ◽

Vol 2009.22 (0) ◽

pp. 756-757

Author(s):

Ryuji SAKAMAKI ◽

Tetsu NARUMI ◽

Kenji YASUOKA

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Dynamics Simulation ◽

Particle Mesh Ewald ◽

Download Full-text

Optimized particle-mesh Ewald/multiple-time step integration for molecular dynamics simulations

The Journal of Chemical Physics ◽

10.1063/1.1389854 ◽

2001 ◽

Vol 115 (9) ◽

pp. 4003-4018 ◽

Author(s):

Paul F. Batcho ◽

David A. Case ◽

Tamar Schlick

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Multiple Time ◽

Time Step ◽

Particle Mesh Ewald ◽

Multiple Time Step ◽

Dynamics Simulations

Download Full-text