Zheyong Fan

22PUBLICATIONS
59CO-AUTHORS
Molecular and organic electronicsComputational methods in fluid flow, heat and mass transfer (incl. computational fluid dynamics)Electrical energy generation (incl. renewables, excl. photovoltaics)Chemical and thermal processes in energy and combustionSemi- and unsupervised learning
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Publications (22)

|Jul 08, 2026
NEP89: universal neuroevolution potential for inorganic and organic materials across 89 elements.

|Apr 22, 2026
Accurate Modeling of Interfacial Thermal Transport in van der Waals Heterostructures via Hybrid Machine Learning and Registry-Dependent Potentials.

|Apr 20, 2026
qNEP: A Highly Efficient Neuroevolution Potential with Dynamic Charges for Large-Scale Atomistic Simulations.

|Apr 16, 2026
Thermal conductivities of monolayer graphene oxide from machine learning molecular dynamics simulations.

|Jan 29, 2026
Improving Robustness and Training Efficiency of Machine-Learned Potentials by Incorporating Short-Range Empirical Potentials.

Zihan Yan, Zheyong Fan, Yizhou Zhu

|Aug 08, 2025
Thermal Transport of Amorphous Hafnia Across the Glass Transition.

Zezhu Zeng, Xia Liang, Zheyong Fan

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Frequent Collaborators

12 joint publications

Penghua Ying

7 joint publications

Paul Erhart

6 joint publications

Ke Xu

6 joint publications

Haikuan Dong