activity
20022024
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 · 1.1k across the 15 of their papers we have counts for

collaborators
Showing 2012Show all

2 papers · 1 filter

physics.chem-ph2012

Toward a universal water model: First principles simulations from the dimer to the liquid phase

Volodymyr Babin, Gregory R. Medders, Francesco Paesani

A full-dimensional molecular model of water, HBB2-pol, derived entirely from first principles, is introduced and employed in computer simulations ranging from the dimer to the liqu…

physics.chem-ph2012

A critical assessment of two-body and three-body interactions in water

Gregory R. Medders, Volodymyr Babin, Francesco Paesani

The microscopic behavior of water under different conditions and in different environments remains the subject of intense debate. A great number of the controversies arise due to t…