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DOE OSTI · 1812406

PND: Physics-informed neural-network software for molecular dynamics applications

Razakh, Taufeq Mohammed·Wang, Beibei·Jackson, Shane (ORCID:0000000226638235)·Kalia, Rajiv K.·Nakano, Aiichiro·Nomura, Ken-ichi·Vashishta, Priya (ORCID:000000034683429X)
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97 MATHEMATICS AND COMPUTINGdifferential equation solvermachine learningmolecular dynamics

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Razakh, Taufeq Mohammed, Wang, Beibei, Jackson, Shane (ORCID:0000000226638235), Kalia, Rajiv K., Nakano, Aiichiro, Nomura, Ken-ichi, Vashishta, Priya (ORCID:000000034683429X). 2021-07-01. PND: Physics-informed neural-network software for molecular dynamics applications. https://doi.org/10.1016/j.softx.2021.100789

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