activity
20152021
most citedOn the accuracy of the MB-pol many-body potential for water: Interaction energies, vibrational frequencies, and classical thermodynamic and dynamical properties from clusters to liquid water and ice

295 citations · 403 across the 3 of their papers we have counts for

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Showing 2015 · cond-mat.mtrl-sciShow all

1 paper · 2 filters

cond-mat.mtrl-sci2015★ 95 cited

On the representation of many-body interactions in water

Gregory R. Medders, Andreas W. Gotz, Miguel A. Morales +1

Recent work has shown that the many-body expansion of the interaction energy can effectively be used to develop analytical representations of global potential energy surfaces (PESs…