2 papers
cond-mat.soft2025
Coarse-Grained Force Fields via Rotational Entropy Corrections to Free Energy Landscapes of Diffusing Molecules
J. M. Hall, M. G. Guenza
The construction of accurate interatomic potentials, and related fields of forces, from equilibrium conformational distributions of molecules is a crucial step in coarse-grained mo…
cond-mat.soft2024
A Generalized Einstein Relation for Markovian Friction Coefficients from Molecular Trajectories
J. M. Hall, M. G. Guenza
We present a generalized Einstein relation for the friction coefficients associated with an underlying memory kernel in terms of observable time correlation functions. There is con…