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20202026
most citedA Fourth-Generation High-Dimensional Neural Network Potential with Accurate Electrostatics Including Non-local Charge Transfer

533 citations · 567 across the 11 of their papers we have counts for

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Showing 2024Show all

2 papers · 1 filter

physics.comp-ph2024

Data-Efficient Construction of High-Fidelity Graph Deep Learning Interatomic Potentials

Tsz Wai Ko, Shyue Ping Ong

Machine learning potentials (MLPs) have become an indispensable tool in large-scale atomistic simulations because of their ability to reproduce ab initio potential energy surfaces…

cond-mat.mtrl-sci2024

Superionic surface Li-ion transport in carbonaceous materials

Jianbin Zhou, Shen Wang, Chaoshan Wu +17

Unlike Li-ion transport in the bulk of carbonaceous materials, little is known about Li-ion diffusion on their surface. In this study, we have discovered an ultra-fast Li-ion trans…