High-order time integration methods in molecular dynamics
نویسندگان
چکیده
منابع مشابه
Integration methods for molecular dynamics
Classical molecular dynamics simulation of a macromolecule requires the use of an eecient time-stepping scheme that can faithfully approximate the dynamics over many thousands of timesteps. Because these problems are highly nonlinear, accurate approximation of a particular solution trajectory on meaningful time intervals is neither obtainable nor desired, but some restrictions, such as symplect...
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ژورنال
عنوان ژورنال: PAMM
سال: 2012
ISSN: 1617-7061
DOI: 10.1002/pamm.201210015