output
20032026
most citedNeuroevolution machine learning potentials: Combining high accuracy and low cost in atomistic simulations and application to heat transport

526 citations

Showing 2025Show all

11 papers · 1 filter

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…

cond-mat.mtrl-sci2025★ 4 cited

Anisotropic and isotropic elasticity and thermal transport in monolayer C networks from machine-learning molecular dynamics

Qing Li, Haikuan Dong, Penghua Ying +1

Two-dimensional fullerene networks have recently attracted increasing interest due to their diverse bonding topologies and mechanically robust architectures. In this work, we devel…

quant-ph2025

One-step preparation of 3D Bell and 3D GHZ states with Rydberg atoms

Jiping Wang, Huapeng Liu

Three-dimensional Bell states and GHZ states serve as representative examples of high-dimensional entangled states. In this paper, we propose a scheme for generating three-dimensio…

hep-ex2025★ 1 cited

Study of Stability and Consistency of EAS Thermal Neutron Detection at ENDA-64

Heng-Yu Zhang, Xin-Hua Ma, Tian-Lu Chen +27

Introduction:Electron-Neutron Detector Array (ENDA) is designed to measure thermal neutrons produced by hadronic interactions between cosmic ray extensive air showers (EAS) and the…

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★ 28 cited

PYSED: A tool for extracting kinetic-energy-weighted phonon dispersion and lifetime from molecular dynamics simulations

Ting Liang, Wenwu Jiang, Ke Xu +4

Machine learning potential-driven molecular dynamics (MD) simulations have significantly enhanced the predictive accuracy of thermal transport properties across diverse materials.…