Vlad P. Sokhan

Electronic coarse graining enhances the predictive power of molecular simulation allowing challenges in water physics to be addressed

Glenn J. Martyna, Jason Crain, Flaviu S. Cipcigan, 2016, J. Comput. Phys..

Electronically coarse-grained molecular dynamics using quantum Drude oscillators

Jason Crain, Flaviu S. Cipcigan, Vlad P. Sokhan, 2013 .