Haikuan Dong

8PUBLICATIONS
31CO-AUTHORS
Molecular and organic electronicsChemical and thermal processes in energy and combustionElectrical circuits and systemsCondensed matter modelling and density functional theoryTheoretical quantum chemistry
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Publications (8)

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

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

|Nov 25, 2024
General-purpose machine-learned potential for 16 elemental metals and their alloys.

Keke Song, Rui Zhao, Jiahui Liu

|Jul 01, 2024
Correcting force error-induced underestimation of lattice thermal conductivity in machine learning molecular dynamics.

Xiguang Wu, Wenjiang Zhou, Haikuan Dong

|Mar 08, 2024
Combining linear-scaling quantum transport and machine-learning molecular dynamics to study thermal and electronic transports in complex materials.

Zheyong Fan, Yang Xiao, Yanzhou Wang

|Nov 07, 2023
Investigation of phase transition, mechanical behavior and lattice thermal conductivity of halogen perovskites using machine learning interatomic potentials.

Yongbo Shi, Yuanyuan Chen, Haikuan Dong

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Frequent Collaborators

6 joint publications

Zheyong Fan

6 joint publications

Penghua Ying

3 joint publications

Tapio Ala-Nissila

3 joint publications

Shunda Chen