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physics.comp-ph2025
Making PLUMED fly: a tutorial on optimizing performance
Daniele Rapetti, Massimiliano Bonomi, Carlo Camilloni +2
PLUMED is an open-source software package that is widely used for analyzing and enhancing molecular dynamics simulations that works in conjunction with most available molecular dyn…
cond-mat.mtrl-sci2025
dynsight: an Open Python Platform for Simulation and Experimental Trajectory Data Analysis
Simone Martino, Matteo Becchi, Andrew Tarzia +2
The study of complex many-body systems via analysis of the trajectories of the units that dynamically move and interact within them is a non-trivial task. The workflow for extracti…