Fast Equilibration of Water between Buried Sites and the Bulk by Molecular Dynamics with Parallel Monte Carlo Water Moves on Graphical Processing Units

2021 ◽  
Author(s):  
Ido Y. Ben-Shalom ◽  
Charles Lin ◽  
Brian K. Radak ◽  
Woody Sherman ◽  
Michael K. Gilson
Keyword(s):  
Molecular Dynamics ◽  
Monte Carlo ◽  
Graphical Processing Units ◽  
Graphical Processing

scholarly journals TeraChem: Accelerating electronic structure and ab initio molecular dynamics with graphical processing units

2020 ◽  
Vol 152 (22) ◽  
pp. 224110 ◽  
Author(s):  
Stefan Seritan ◽  
Christoph Bannwarth ◽  
B. Scott Fales ◽  
Edward G. Hohenstein ◽  
Sara I. L. Kokkila-Schumacher ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Electronic Structure ◽  
Ab Initio ◽  
Ab Initio Molecular Dynamics ◽  
Graphical Processing Units ◽  
Graphical Processing

scholarly journals Quantum Monte Carlo on graphical processing units

2007 ◽  
Vol 177 (3) ◽  
pp. 298-306 ◽  
Author(s):  
Amos G. Anderson ◽  
William A. Goddard ◽  
Peter Schröder
Keyword(s):  
Monte Carlo ◽  
Quantum Monte Carlo ◽  
Graphical Processing Units ◽  
Graphical Processing

Gramm-software package for molecular dynamics on graphical processing units

2010 ◽  
Vol 2 (1) ◽  
pp. 46-54
Author(s):  
D. S. Tarasov ◽  
E. D. Izotova ◽  
D. A. Alisheva ◽  
N. I. Akberova
Keyword(s):  
Molecular Dynamics ◽  
Software Package ◽  
Graphical Processing Units ◽  
Graphical Processing

scholarly journals Phaseless Auxiliary-Field Quantum Monte Carlo on Graphical Processing Units

2018 ◽  
Vol 14 (8) ◽  
pp. 4109-4121 ◽  
Author(s):  
James Shee ◽  
Evan J. Arthur ◽  
Shiwei Zhang ◽  
David R. Reichman ◽  
Richard A. Friesner
Keyword(s):  
Monte Carlo ◽  
Quantum Monte Carlo ◽  
Auxiliary Field ◽  
Graphical Processing Units ◽  
Graphical Processing
Sign in / Sign up

Export Citation Format

Share Document