title: The multiscale coarse-graining method. IV. Transferring coarse-grained potentials between temperatures.
abstract: This work develops a method for the construction of multiscale coarse-grained (MS-CG) force fields at different temperatures based on available atomistic data at a given reference temperature. The validity of this theory is demonstrated numerically by applying it to construct MS-CG models of the Lennard-Jones liquid and simple point charge water model systems.
authors: Department of Chemistry and Center for Biophysical Modeling and Simulation, University of Utah, Salt Lake City, Utah 84112-0850, USA.
authors: Vinod
authors: V
authors: Krishna
authors: Will G
authors: WG
authors: Noid
authors: Gregory A
authors: GA
authors: Voth
mesh_terms: D003198:Computer Simulation; D008962:Models, Theoretical; D044367:Phase Transition; D013696:Temperature; D014867:Water / Q000737:chemistry*
chemical_list: D014867:Water