Domain-Decomposition Parallelization for Molecular Dynamics Algorithm with Short-Ranged Potentials on Epiphany Architecture

Lobachevskii Journal of Mathematics ◽

10.1134/s1995080218090159 ◽

2018 ◽

Vol 39 (9) ◽

pp. 1228-1238 ◽

Author(s):

V. Nikolskii ◽

V. Stegailov

Keyword(s):

Molecular Dynamics ◽

Domain Decomposition

Download Full-text

Rigid Body Molecular Dynamics within the Domain Decomposition Framework of DL_POLY_4

Lecture Notes in Computer Science - Parallel Computing Technologies ◽

10.1007/978-3-642-39958-9_40 ◽

2013 ◽

pp. 429-435

Author(s):

Ilian Todorov ◽

Laurence Ellison ◽

William Smith

Keyword(s):

Molecular Dynamics ◽

Domain Decomposition

Download Full-text

A cell multipole based domain decomposition algorithm for molecular dynamics simulation of systems of arbitrary shape

Computer Physics Communications ◽

10.1016/s0010-4655(02)00157-1 ◽

2002 ◽

Vol 144 (2) ◽

pp. 141-153 ◽

Author(s):

Pasupulati Lakshminarasimhulu ◽

Jeffry D. Madura

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Domain Decomposition ◽

Arbitrary Shape ◽

Decomposition Algorithm ◽

Dynamics Simulation ◽

A Cell ◽

Domain Decomposition Algorithm

Download Full-text

Toward Large Scale Parallelization for Molecular Dynamics of Small Chemical Systems: A Combined Parallel Tempering and Domain Decomposition Approach

Journal of Chemical Theory and Computation ◽

10.1021/ct800255r ◽

2008 ◽

Vol 4 (10) ◽

pp. 1570-1575 ◽

Author(s):

Henk A. Slim ◽

Mark R. Wilson

Keyword(s):

Molecular Dynamics ◽

Domain Decomposition ◽

Large Scale ◽

Parallel Tempering ◽

Decomposition Approach ◽

Chemical Systems ◽

Download Full-text

Replicated data and domain decomposition molecular dynamics techniques for simulation of anisotropic potentials

Journal of Computational Chemistry ◽

10.1002/(sici)1096-987x(199703)18:4<478::aid-jcc3>3.0.co;2-q ◽

1997 ◽

Vol 18 (4) ◽

pp. 478-488 ◽

Author(s):

Mark R. Wilson ◽

Michael P. Allen ◽

Mark A. Warren ◽

Alain Sauron ◽

William Smith

Keyword(s):

Molecular Dynamics ◽

Domain Decomposition ◽

Replicated Data

Download Full-text

A domain decomposition molecular dynamics program for the simulation of flexible molecules with an arbitrary topology of Lennard–Jones and/or Gay–Berne sites

Computer Physics Communications ◽

10.1016/s0010-4655(00)00187-9 ◽

2001 ◽

Vol 134 (1) ◽

pp. 23-32 ◽

Author(s):

Jaroslav Ilnytskyi ◽

Mark R. Wilson

Keyword(s):

Molecular Dynamics ◽

Domain Decomposition ◽

Arbitrary Topology ◽

Flexible Molecules ◽

Download Full-text

Optimization techniques for parallel molecular dynamics using domain decomposition

Computer Physics Communications ◽

10.1016/s0010-4655(98)00074-5 ◽

1998 ◽

Vol 113 (2-3) ◽

pp. 145-167 ◽

Author(s):

M. Pütz ◽

A. Kolb

Keyword(s):

Molecular Dynamics ◽

Domain Decomposition ◽

Optimization Techniques ◽

Parallel Molecular Dynamics

Download Full-text

A domain decomposition molecular dynamics program for the simulation of flexible molecules of spherically-symmetrical and nonspherical sites. II. Extension to NVT and NPT ensembles

Computer Physics Communications ◽

10.1016/s0010-4655(02)00467-8 ◽

2002 ◽

Vol 148 (1) ◽

pp. 43-58 ◽

Author(s):

Jaroslav M. Ilnytskyi ◽

Mark R. Wilson

Keyword(s):

Molecular Dynamics ◽

Domain Decomposition ◽

Flexible Molecules

Download Full-text

A domain decomposition parallel processing algorithm for molecular dynamics simulations of polymers [Comput. Phys. Commun. 83 (1994) 1–13]

Computer Physics Communications ◽

10.1016/0010-4655(95)00007-3 ◽

1995 ◽

Vol 86 (3) ◽

pp. 312 ◽

Author(s):

David Brown ◽

Julian H.R. Clarke ◽

Motoi Okuda ◽

Takao Yamazaki

Keyword(s):

Molecular Dynamics ◽

Parallel Processing ◽

Domain Decomposition ◽

Molecular Dynamics Simulations ◽

Processing Algorithm ◽

Comput Phys ◽

Dynamics Simulations

Download Full-text

Implementation of a data parallel, logical domain decomposition method for interparticle interactions in molecular dynamics of structured molecular fluids

Journal of Computational Chemistry ◽

10.1002/jcc.540150106 ◽

1994 ◽

Vol 15 (1) ◽

pp. 44-53 ◽

Author(s):

William S. Young ◽

Charles L. Brooks

Keyword(s):

Molecular Dynamics ◽

Domain Decomposition ◽

Decomposition Method ◽

Domain Decomposition Method ◽

Interparticle Interactions ◽

Molecular Fluids ◽

Download Full-text

A domain decomposition parallel processing algorithm for molecular dynamics simulations of systems of arbitrary connectivity

Computer Physics Communications ◽

10.1016/s0010-4655(97)00040-4 ◽

1997 ◽

Vol 103 (2-3) ◽

pp. 170-186 ◽

Author(s):

David Brown ◽

Herve´ Minoux ◽

Bernard Maigret

Keyword(s):

Molecular Dynamics ◽

Parallel Processing ◽

Domain Decomposition ◽

Molecular Dynamics Simulations ◽

Processing Algorithm ◽

Dynamics Simulations ◽

Arbitrary Connectivity

Download Full-text