Penghua Ying
Tel Aviv University(IL)Xi'an Jiaotong University(CN)
Publications by Year
Research Areas
Machine Learning in Materials Science, Thermal properties of materials, Graphene research and applications, Metal-Organic Frameworks: Synthesis and Applications, 2D Materials and Applications
Most-Cited Works
- → GPUMD: A package for constructing accurate machine-learned potentials and performing highly efficient atomistic simulations(2022)364 cited
- → General-purpose machine-learned potential for 16 elemental metals and their alloys(2024)133 cited
- → Molecular dynamics simulations of heat transport using machine-learned potentials: A mini-review and tutorial on GPUMD with neuroevolution potentials(2024)80 cited
- → Atomistic insights into the mechanical anisotropy and fragility of monolayer fullerene networks using quantum mechanical calculations and machine-learning molecular dynamics simulations(2022)73 cited
- → Thermal transport in planar sp 2 -hybridized carbon allotropes: A comparative study of biphenylene network, pentaheptite and graphene(2021)70 cited
- → Anisotropic and high thermal conductivity in monolayer quasi-hexagonal fullerene: A comparative study against bulk phase fullerene(2023)62 cited
- → Sub-Micrometer Phonon Mean Free Paths in Metal–Organic Frameworks Revealed by Machine Learning Molecular Dynamics Simulations(2023)57 cited
- → Impacts of Functional Group Substitution and Pressure on the Thermal Conductivity of ZIF-8(2020)57 cited
- → Accurate prediction of heat conductivity of water by a neuroevolution potential(2023)53 cited
- → GPUMD 4.0: A high‐performance molecular dynamics package for versatile materials simulations with machine‐learned potentials(2025)46 cited