Andriy Kovalenko

Self-consistent description of a metal–water interface by the Kohn–Sham density functional theory and the three-dimensional reference interaction site model

Andriy Kovalenko, Fumio Hirata · The Journal of Chemical Physics · 1999 · 675 citations

Natural Sciences, Chemistry, Physics +17

Three-dimensional density profiles of water in contact with a solute of arbitrary shape: a RISM approach

Andriy Kovalenko, Fumio Hirata · Chemical Physics Letters · 1998 · 459 citations

Engineering, Chemical Engineering, Computational Fluid Dynamics +10

Potentials of mean force of simple ions in ambient aqueous solution. I. Three-dimensional reference interaction site model approach

Andriy Kovalenko, Fumio Hirata · The Journal of Chemical Physics · 2000 · 280 citations

Natural Sciences, Biophysics, Chemistry +16

Three-Dimensional Molecular Theory of Solvation Coupled with Molecular Dynamics in Amber

Tyler Luchko, Sergey Gusarov, Daniel R. Roe et al. · Journal of Chemical Theory and Computation · 2010 · 262 citations · Full text

Natural Sciences, Biophysics, Chemistry +17

Solution of three-dimensional reference interaction site model and hypernetted chain equations for simple point charge water by modified method of direct inversion in iterative subspace

Andriy Kovalenko, Seiichiro Ten‐no, Fumio Hirata · Journal of Computational Chemistry · 1999 · 233 citations

Natural Sciences, Chemistry, Computational Biophysics +11