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

research article

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

Liberatore, Elisa

•

Meli, Rocco

•

Röthlisberger, Ursula

April 6, 2018

Journal of Chemical Theory and Computation

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Publisher's version

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openaccess

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