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Isotope effects in liquid water via deep potential molecular dynamics
Authors:Hsin-Yu Ko  Linfeng Zhang  Biswajit Santra  Han Wang  Weinan E  Robert A DiStasio Jr
Institution:1. Department of Chemistry, Princeton University, Princeton, NJ, USAORCID Iconhttps://orcid.org/0000-0003-1619-6514;2. Program in Applied and Computational Mathematics, Princeton University, Princeton, NJ, USAORCID Iconhttps://orcid.org/0000-0002-8470-5846;3. Department of Physics, Temple University, Philadelphia, PA, USAORCID Iconhttps://orcid.org/0000-0003-3609-2106;4. Laboratory of Computational Physics, Institute of Applied Physics and Computational Mathematics, Beijing, People's Republic of ChinaORCID Iconhttps://orcid.org/0000-0001-5623-1148;5. Program in Applied and Computational Mathematics, Princeton University, Princeton, NJ, USA;6. Department of Mathematics, Princeton University, Princeton, NJ, USAORCID Iconhttps://orcid.org/0000-0003-0272-9500;7. Department of Chemistry and Chemical Biology, Cornell University, Ithaca, NY, USAORCID Iconhttps://orcid.org/0000-0003-2732-194X
Abstract:
Keywords:Liquid water  nuclear quantum effects  ab initio molecular dynamics  deep neural network  isotope effects
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