Roumen Tsekov
Published 2022-05-11Version 1
Advanced thermostats for molecular dynamics are proposed on the base of the rigorous Langevin dynamics. Because the latter accounts properly for the subsystem-bath interactions, the bath anisotropy and nonuniformity are described by the relevant friction tensor. The developed model reflects appropriately the relativistic dynamics of the subsystem evolution with large momenta of the subsystem particles as well as the nonlinear friction at high temperature.
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