Molecular Dynamics Simulations Using Graphics Processing Units

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

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

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

Accelerating molecular dynamics simulations using Graphics Processing Units with CUDA

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

General purpose molecular dynamics simulations fully implemented on graphics processing units

2008 ◽  
Vol 227 (10) ◽  
pp. 5342-5359 ◽  
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

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

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

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

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

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

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

ERRATUM Molecular dynamics simulations of liquid crystal phases using atomistic potentials

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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