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• GPUMD: A package for constructing accurate machine-learned potentials and performing highly efficient atomistic simulations
  2022 · 364 citations
• Molecular dynamics simulations of heat transport using machine-learned potentials: A mini review and tutorial on GPUMD with neuroevolution potentials
  2024 · 92 citations
• PYSED: A tool for extracting kinetic-energy-weighted phonon dispersion and lifetime from molecular dynamics simulations
  2025 · 18 citations
• Accurate Modeling of Interfacial Thermal Transport in van der Waals Heterostructures via Hybrid Machine Learning and Registry-Dependent Potentials
  2025 · 5 citations
• Modular hybrid machine learning and physics-based potentials for scalable modeling of van der Waals heterostructures
  2025 · 4 citations
• Neuroevolution machine learning potentials: Combining high accuracy and low cost in atomistic simulations and application to heat transport
  2021
• Improving the accuracy of the neuroevolution machine learning potential for multi-component systems
  2021