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20232026
most citedMolecular dynamics simulations of heat transport using machine-learned potentials: A mini review and tutorial on GPUMD with neuroevolution potentials

104 citations · 222 across the 9 of their papers we have counts for

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physics.chem-ph2024

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…