4 citations · 6 across the 3 of their papers we have counts for
3 papers
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+…
physics.comp-ph2021★ 2 cited
Implementation and Parallel Optimization of the Lees-Edwards Boundary Condition in ESPResSo++
Zhen-Hao Xu, James Vance, Nikita Tretyakov +2
The Lees-Edwards boundary condition (LEbc) was first developed by Lees and Edwards in 1970s. The current implementation of LEbc in the ESPResSo++ MD software package provides a new…
cs.DC2021★ 4 cited
Code modernization strategies for short-range non-bonded molecular dynamics simulations
James Vance, Zhen-Hao Xu, Nikita Tretyakov +5
Modern HPC systems are increasingly relying on greater core counts and wider vector registers. Thus, applications need to be adapted to fully utilize these hardware capabilities. O…