David M. Wilkins - Dissemin

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All papers authored by David M. Wilkins

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2020 Max Veit

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, David M. Wilkins

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, Robert A. DiStasio

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, Michele Ceriotti

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Predicting molecular dipole moments by combining atomic partial charges and atomic dipoles

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2019 Yang Yang, Ka Un Lao, David M. Wilkins

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, Andrea Grisafi, Michele Ceriotti

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, Robert A. DiStasio

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Quantum mechanical static dipole polarizabilities in the QM7b and AlphaML showcase databases

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Venkat Kapil, Mariana Rossi, Ondrej Marsalek, Riccardo Petraglia, Yair Litman, Thomas Spura, Bingqing Cheng, Alice Cuzzocrea, Robert H. Meißner

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, David M. Wilkins

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, Benjamin A. Helfrecht, Przemysław Juda, Sébastien P. Bienvenue, Wei Fang, Jan Kessler and 12 other authors

i-PI 2.0: A universal force engine for advanced molecular simulations

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2018 Mahdi Hijazi

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, David M. Wilkins

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, Michele Ceriotti

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Fast-forward Langevin dynamics with momentum flips

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