Hierarchical Coupling of First Principles Molecular Dynamics with Advanced Sampling Methods

“Hierarchical Coupling of First Principles Molecular Dynamics with Advanced Sampling Methods,” Emre Sevgen, Federico Giberti, Hythem Sidky, Jonathan Whitmer, Giulia Galli, Francois Gygi, and Juan de Pablo J. Chem. Theory Comput., 2018

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