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20072026
most citedAdaptive resolution molecular dynamics simulation through coupling to an internal particle reservoir

180 citations · 858 across the 19 of their papers we have counts for

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physics.comp-ph2014

Adaptive Resolution Simulation as a Grand Canonical Molecular Dynamics Scheme: Principles, Applications and Perspectives

Luigi Delle Site, Animesh Agarwal, Christoph Junghans +1

We describe the adaptive resolution multiscale method AdResS. The conceptual evolution as well as the improvements of its technical efficiency are described step by step, with an e…