Alexey A. Sokol

QUASI: A general purpose implementation of the QM/MM approach and its application to problems in catalysis

Paul Sherwood, Alex H. de Vries, Martyn F. Guest et al. · Journal of Molecular Structure THEOCHEM · 2003 · 1K citations

Natural Sciences, Chemical Engineering, Chemistry +14

<scp>C</scp>hem<scp>S</scp>hell—a modular software package for <scp>QM</scp>/<scp>MM</scp> simulations

Sebastian Metz, Johannes Kästner, Alexey A. Sokol et al. · Wiley Interdisciplinary Reviews Computational Molecular Science · 2013 · 517 citations · Full text

Natural Sciences, Chemistry, Physics +17

Modelling nano-clusters and nucleation

C. Richard A. Catlow, Stefan T. Bromley, Said Hamad et al. · Physical Chemistry Chemical Physics · 2009 · 183 citations

Natural Sciences, Chemistry, Materials Science +17

Why Are Polar Surfaces of ZnO Stable?

David Mora‐Fonz, Tomas Lazauskas, Matthew R. Farrow et al. · Chemistry of Materials · 2017 · 174 citations · Full text

Natural Sciences, Materials Science, Physics +17

Point defects in ZnO

Alexey A. Sokol, Samuel A. French, Stefan T. Bromley et al. · Faraday Discussions · 2006 · 172 citations

Natural Sciences, Materials Science, Physics +17