Molecular Dynamics Simulations Using Graphics Processing Units

Molecular Informatics ◽

10.1002/minf.201100042 ◽

2011 ◽

Vol 30 (6-7) ◽

pp. 498-504 ◽

Author(s):

John A. Baker ◽

Jonathan D. Hirst

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Graphics Processing Units ◽

Dynamics Simulations ◽

Graphics Processing

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Shear Viscosity of Liquid-Phase Yukawa Plasmas from Molecular Dynamics Simulations on Graphics Processing Units

Contributions to Plasma Physics ◽

10.1002/ctpp.201100083 ◽

2012 ◽

Vol 52 (3) ◽

pp. 194-198 ◽

Author(s):

Á. Budea ◽

A. Derzsi ◽

P. Hartmann ◽

Z. Donkó

Keyword(s):

Molecular Dynamics ◽

Liquid Phase ◽

Molecular Dynamics Simulations ◽

Shear Viscosity ◽

Graphics Processing Units ◽

Dynamics Simulations ◽

Graphics Processing

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Efficient molecular dynamics simulations with many-body potentials on graphics processing units

Computer Physics Communications ◽

10.1016/j.cpc.2017.05.003 ◽

2017 ◽

Vol 218 ◽

pp. 10-16 ◽

Author(s):

Zheyong Fan ◽

Wei Chen ◽

Ville Vierimaa ◽

Ari Harju

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Graphics Processing Units ◽

Many Body ◽

Dynamics Simulations ◽

Graphics Processing

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Accelerating molecular dynamics simulations using Graphics Processing Units with CUDA

Computer Physics Communications ◽

10.1016/j.cpc.2008.05.008 ◽

2008 ◽

Vol 179 (9) ◽

pp. 634-641 ◽

Author(s):

Weiguo Liu ◽

Bertil Schmidt ◽

Gerrit Voss ◽

Wolfgang Müller-Wittig

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Graphics Processing Units ◽

Dynamics Simulations ◽

Graphics Processing

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General purpose molecular dynamics simulations fully implemented on graphics processing units

Journal of Computational Physics ◽

10.1016/j.jcp.2008.01.047 ◽

2008 ◽

Vol 227 (10) ◽

pp. 5342-5359 ◽

Cited By ~ 1067

Author(s):

Joshua A. Anderson ◽

Chris D. Lorenz ◽

A. Travesset

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Graphics Processing Units ◽

General Purpose ◽

Dynamics Simulations ◽

Graphics Processing

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Accelerated Molecular Dynamics Simulations with the AMOEBA Polarizable Force Field on Graphics Processing Units

Journal of Chemical Theory and Computation ◽

10.1021/ct400514p ◽

2013 ◽

Vol 9 (11) ◽

pp. 4684-4691 ◽

Author(s):

Steffen Lindert ◽

Denis Bucher ◽

Peter Eastman ◽

Vijay Pande ◽

J. Andrew McCammon

Keyword(s):

Molecular Dynamics ◽

Force Field ◽

Molecular Dynamics Simulations ◽

Graphics Processing Units ◽

Polarizable Force Field ◽

Accelerated Molecular Dynamics ◽

Dynamics Simulations ◽

Graphics Processing

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An investigation of the effects of hard and soft errors on graphics processing unit-accelerated molecular dynamics simulations

Concurrency and Computation Practice and Experience ◽

10.1002/cpe.3232 ◽

2014 ◽

Vol 26 (13) ◽

pp. 2134-2140 ◽

Author(s):

Robin M. Betz ◽

Nathan A. DeBardeleben ◽

Ross C. Walker

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Graphics Processing Unit ◽

Soft Errors ◽

Processing Unit ◽

Accelerated Molecular Dynamics ◽

Dynamics Simulations ◽

Graphics Processing

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Graphics Processing Unit Acceleration and Parallelization of GENESIS for Large-Scale Molecular Dynamics Simulations

Journal of Chemical Theory and Computation ◽

10.1021/acs.jctc.6b00241 ◽

2016 ◽

Vol 12 (10) ◽

pp. 4947-4958 ◽

Author(s):

Jaewoon Jung ◽

Akira Naurse ◽

Chigusa Kobayashi ◽

Yuji Sugita

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Large Scale ◽

Graphics Processing Unit ◽

Processing Unit ◽

Dynamics Simulations ◽

Graphics Processing

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Structure of phosphorus-selenium glasses: results from ab initio molecular dynamics simulations

Molecular Physics ◽

10.1080/002689700162045 ◽

2000 ◽

Vol 98 (11) ◽

pp. 701-707

Author(s):

Alessandro Sergi, Mauro Ferrario, Francesco Bu

Keyword(s):

Molecular Dynamics ◽

Ab Initio ◽

Molecular Dynamics Simulations ◽

Ab Initio Molecular Dynamics ◽

Dynamics Simulations

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Tracer diffusion in perfectly aligned liquid crystalline phases Kinetic theory and molecular dynamics simulations

Molecular Physics ◽

10.1080/00268979709482789 ◽

1997 ◽

Vol 91 (6) ◽

pp. 993-1003 ◽

Author(s):

ANJALI KHARE ◽

DAVID KOFKE ◽

GLENN EVANS

Keyword(s):

Molecular Dynamics ◽

Kinetic Theory ◽

Molecular Dynamics Simulations ◽

Liquid Crystalline ◽

Tracer Diffusion ◽

Crystalline Phases ◽

Liquid Crystalline Phases ◽

Dynamics Simulations

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ERRATUM Molecular dynamics simulations of liquid crystal phases using atomistic potentials

Molecular Physics ◽

10.1080/002689798167430 ◽

1998 ◽

Vol 95 (1) ◽

pp. 121-121

Author(s):

CARL MCBRIDE MARK R. WILSON JUDITH A. K.

Keyword(s):

Molecular Dynamics ◽

Liquid Crystal ◽

Molecular Dynamics Simulations ◽

Crystal Phases ◽

Dynamics Simulations ◽

Liquid Crystal Phases

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