Coupling density functional theory to polarizable force fields for efficient and accurate Hamiltonian molecular dynamics simulations von Schwörer, Magnus, Breitenfeld, Benedikt, Tröster, Philipp, Bauer, Sebastian, Lorenzen, Konstantin, Tavan, Paul, Mathias, Gerald

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Coupling density functional theory to polarizable force fields for efficient and accurate Hamiltonian molecular dynamics simulations von Schwörer, Magnus, Breitenfeld, Benedikt, Tröster, Philipp, Bauer, Sebastian, Lorenzen, Konstantin, Tavan, Paul, Mathias, Gerald

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