most citedCode modernization strategies for short-range non-bonded molecular dynamics simulations

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cond-mat.soft2026

ESPResSo++: A Fast and Extensible Molecular Simulation Package for Coarse-Grained Models

Zhen-Hao Xu, James Vance, Nikita Tretyakov +9

ESPResSo++ is an open-source software package for molecular dynamics (MD) simulations with a particular emphasis on coarse-grained (CG) models of soft matter systems. Written in C+…