203 citations · 778 across the 25 of their papers we have counts for
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physics.chem-ph2025★ 1 cited
Thermal conductivities of monolayer graphene oxide from machine learning molecular dynamics simulations
Bohan Zhang, Biyuan Liu, Penghua Ying +6
Graphene oxide (GO) exhibits rich chemical heterogeneity that strongly influences its structural, thermal, and mechanical properties, yet quantitatively linking reduction chemistry…
physics.chem-ph2024★ 25 cited
NEP-MB-pol: A unified machine-learned framework for fast and accurate prediction of water's thermodynamic and transport properties
Ke Xu, Ting Liang, Nan Xu +5
Water's unique hydrogen-bonding network and anomalous properties pose significant challenges for accurately modeling its structural, thermodynamic, and transport behavior across va…