Hybrid deterministic and stochastic approach for efficient atomistic simulations at long time scales
نویسندگان
چکیده
منابع مشابه
Hybrid deterministic and stochastic approach for efficient atomistic simulations at long time scales
We propose a hybrid deterministic and stochastic approach to achieve extended time scales in atomistic simulations that combines the strengths of molecular dynamics (MD) and Monte Carlo (MC) simulations in an easy-to-implement way. The method exploits the rare event nature of the dynamics similar to most current accelerated MD approaches but goes beyond them by providing, without any further co...
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ژورنال
عنوان ژورنال: Physical Review B
سال: 2011
ISSN: 1098-0121,1550-235X
DOI: 10.1103/physrevb.84.100301