activity
20222026
most citedGeneral-purpose machine-learned potential for 16 elemental metals and their alloys

203 citations · 778 across the 25 of their papers we have counts for

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Showing physics.comp-phShow all

5 papers · 1 filter

physics.comp-ph2025★ 4 cited

Accurate Modeling of Interfacial Thermal Transport in van der Waals Heterostructures via Hybrid Machine Learning and Registry-Dependent Potentials

Wenwu Jiang, Hekai Bu, Ting Liang +4

Two-dimensional transition metal dichalcogenides (TMDs) exhibit remarkable thermal anisotropy due to their strong intralayer covalent bonding and weak interlayer van der Waals (vdW…

physics.comp-ph2025★ 2 cited

Modular hybrid machine learning and physics-based potentials for scalable modeling of van der Waals heterostructures

Hekai Bu, Wenwu Jiang, Penghua Ying +3

Accurately modeling the structural reconstruction and thermodynamic behavior of van der Waals (vdW) heterostructures remains a significant challenge due to the limitations of conve…

physics.comp-ph2025★ 17 cited

Probing the ideal limit of interfacial thermal conductance in two-dimensional van der Waals heterostructures

Ting Liang, Ke Xu, Penghua Ying +9

Probing the ideal limit of interfacial thermal conductance (ITC) in two-dimensional (2D) heterointerfaces is of paramount importance for assessing heat dissipation in 2D-based nano…

physics.comp-ph2023★ 63 cited

Accurate prediction of heat conductivity of water by a neuroevolution potential

Ke Xu, Yongchao Hao, Ting Liang +4

We propose an approach that can accurately predict the heat conductivity of liquid water. On the one hand, we develop an accurate machine-learned potential based on the neuroevolut…

physics.comp-ph2022★ 73 cited

Anisotropic and high thermal conductivity in monolayer quasi-hexagonal fullerene: A comparative study against bulk phase fullerene

Haikuan Dong, Chenyang Cao, Penghua Ying +3

Recently a novel two-dimensional (2D) C based crystal called quasi-hexagonal-phase fullerene (QHPF) has been fabricated and demonstrated to be a promising candidate for 2D e…