A semi-analytical approach to molecular dynamics
نویسندگان
چکیده
منابع مشابه
A semi-analytical approach to molecular dynamics
Despite numerous computational advances over the last few decades, molecular dynamics still favors explicit (and thus easily-parallelizable) time integrators for large scale numerical simulation. As a consequence, computational efficiency in solving its typically stiff oscillatory equations of motion is hampered by stringent stability requirements on the time step size. In this paper, we presen...
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ژورنال
عنوان ژورنال: Journal of Computational Physics
سال: 2015
ISSN: 0021-9991
DOI: 10.1016/j.jcp.2015.10.009