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20052024
most citedAdaptive Resolution Molecular Dynamics Simulation: Changing the Degrees of Freedom on the Fly

430 citations · 1.5k across the 27 of their papers we have counts for

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Showing 2018Show all

2 papers · 1 filter

physics.comp-ph2018★ 33 cited

Adaptive Resolution Molecular Dynamics Technique: Down to the Essential

Christian Krekeler, Animesh Agarwal, Christoph Junghans +2

We investigate the role of the thermodynamic (TD) force, as an essential and sufficient technical ingredient for an efficient and accurate adaptive resolution algorithm. Such a for…

physics.chem-ph2018★ 19 cited

Towards Open Boundary Molecular Dynamics Simulation of Ionic Liquids

Christian Krekeler, Luigi Delle Site

We extend the use of the adaptive resolution method (AdResS) in its Grand Canonical-like version (GC-AdResS) to the molecular dynamics simulation of 1,3-dimethylimidazolium chlorid…