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Neural Network Corrections to Intermolecular Interaction Terms of a Molecular Force Field Capture Nuclear Quantum Effects in Calculations of Liquid Thermodynamic Properties.

Igor V. Kurnikov,Leonid Pereyaslavets,Ganesh Kamath,Serzhan N. Sakipov,Ekaterina Voronina,Oleg Butin,Alexey Illarionov,Igor Leontyev,Grzegorz Nawrocki,Mikhail Darkhovskiy,Michael Olevanov,Ilya Ivahnenko, Yuchun Chen,Christopher B. Lock,Michael Levitt,Roger D. Kornberg,Boris Fain

Journal of Chemical Theory and Computation（2024）

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