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physics.comp-ph2023
KDE-Based Coarse-graining of Semicrystalline Systems with Correlated Three-body Intramolecular Interaction
Jianlan Ye, Vipin Agrawal, Minghao Liu +2
We present an extension to the iterative Boltzmann inversion method to generate coarse-grained models with three-body intramolecular potentials that can reproduce correlations in s…
physics.comp-ph2022★ 4 cited
MeMC: A package for monte-carlo simulations of spherical shells
Vipin Agrawal, Vikash Pandey, Hanna Kylhammar +2
The MeMC is an open-source software package for monte-carlo simulation of elastic shells. It is designed as a tool to interpret the force-distance data generated by indentation of…