Volodymyr Babin

Development of a “First Principles” Water Potential with Flexible Monomers: Dimer Potential Energy Surface, VRT Spectrum, and Second Virial Coefficient

Volodymyr Babin, Claude Leforestier, Francesco Paesani · Journal of Chemical Theory and Computation · 2013 · 602 citations

Engineering, Computational Chemistry, Chemistry +20

Development of a “First Principles” Water Potential with Flexible Monomers. II: Trimer Potential Energy Surface, Third Virial Coefficient, and Small Clusters

Volodymyr Babin, Gregory R. Medders, Francesco Paesani · Journal of Chemical Theory and Computation · 2014 · 487 citations

Engineering, Computational Chemistry, Chemistry +16

Development of a “First-Principles” Water Potential with Flexible Monomers. III. Liquid Phase Properties

Gregory R. Medders, Volodymyr Babin, Francesco Paesani · Journal of Chemical Theory and Computation · 2014 · 480 citations

Quantum Liquid, Engineering, Computational Chemistry +18

Adaptively biased molecular dynamics for free energy calculations

Volodymyr Babin, Christopher Roland, Celeste Sagui · The Journal of Chemical Physics · 2008 · 193 citations · Full text

Molecular Kinetics, Engineering, Physics +15

Toward a Universal Water Model: First Principles Simulations from the Dimer to the Liquid Phase

Volodymyr Babin, Gregory R. Medders, Francesco Paesani · The Journal of Physical Chemistry Letters · 2012 · 182 citations

Quantum Liquid, First Principles Simulations, Engineering +20