Fluctuating Hydrodynamics Methods for Dynamic Coarse-Grained Implicit-Solvent Simulations in LAMMPS
نویسندگان
چکیده
منابع مشابه
Fluctuating Hydrodynamics Methods for Dynamic Coarse-Grained Implicit-Solvent Simulations in LAMMPS
W e introduce a software package integrated with the molecular dynamics software LAMMPS for fluctuating hydrodynamics simulations of fluid-structure interactions subject to thermal fluctuations. The package is motivated to provide dynamic thermostats to extend implicit-solvent coarse-grained (IS-CG) models by incorporating kinetic contributions from the solvent to facilitate their use in a wide...
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ژورنال
عنوان ژورنال: SIAM Journal on Scientific Computing
سال: 2016
ISSN: 1064-8275,1095-7197
DOI: 10.1137/15m1026390