A unified formulation of the constant temperature molecular dynamics methods
نویسندگان
چکیده
منابع مشابه
constant-temperature molecular dynamics simulations
We discuss the use of a Langevin equation with a colored (correlated) noise to perform constanttemperature molecular dynamics simulations. Since the equations of motion are linear in nature, it is easy to predict the response of a Hamiltonian system to such a thermostat and to tune at will the relaxation time of modes of different frequency. This allows one to optimize the time needed to therma...
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ژورنال
عنوان ژورنال: The Journal of Chemical Physics
سال: 1984
ISSN: 0021-9606,1089-7690
DOI: 10.1063/1.447334