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

Flaviu S. Cipcigan, Vlad P. Sokhan, Jason Crain, Glenn J. Martyna. Electronic coarse graining enhances the predictive power of molecular simulation allowing challenges in water physics to be addressed. J. Comput. Physics, 326:222-233, 2016. [doi]