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Published in 2021 at "SoftwareX"
DOI: 10.1016/j.softx.2020.100627
Abstract: Abstract Major updates in version 2.70 of GOMC include new Monte Carlo moves to enhance the sampling of phase space, such as Molecular Exchange Monte Carlo (MEMC), configurational-bias for molecules that contain rings, the crankshaft…
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Keywords:
phase;
gomc gpu;
gpu optimized;
monte carlo ... See more keywords