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Massively parallel chemical potential calculation on graphics processing units
Kevin B. Daly
, Jay B. Benziger
,
Pablo G. Debenedetti
,
Athanassios Z. Panagiotopoulos
Chemical & Biological Engineering
Princeton Materials Institute
Research output
:
Contribution to journal
›
Article
›
peer-review
24
Scopus citations
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Keyphrases
Free Energy Functional
50%
Sampling Efficiency
50%
Parallel Execution
25%
Simulation Analysis
25%
Post Simulation
25%
Monte Carlo Molecular Simulation
25%
Two-stage Approach
25%
CPU Core
25%
Software Efficiency
25%
Low Sampling Rate
25%
Massively Parallel Computation
25%
Strongly Interacting Systems
25%
Optimal number
25%
Trajectory Simulation
25%
Cost Performance
25%
Biochemistry, Genetics and Molecular Biology
Small Molecule
100%
Dynamics
100%
Computer Science
Chemical Potential
100%
Parallel Execution
25%
Parallel Computation
25%