A Versatile Multiple Time Step Scheme for Efficient ab Initio Molecular Dynamics Simulations

Liberatore, ElisaMeli, RoccoRöthlisberger, Ursula2018-04-242018-04-242018-04-242018-04-0610.1021/acs.jctc.7b01189https://infoscience.epfl.ch/handle/20.500.14299/146158A Versatile Multiple Time Step Scheme for Efficient ab Initio Molecular Dynamics Simulationstext::journal::journal article::research article