69 citations · 151 across the 4 of their papers we have counts for
4 papers
Calibrating DFT formation enthalpy calculations by multi-fidelity machine learning
Sheng Gong, Shuo Wang, Tian Xie +3
Machine learning materials properties measured by experiments is valuable yet difficult due to the limited amount of experimental data. In this work, we use a multi-fidelity random…
Screening and understanding Li adsorption on 2-dimensional metallic materials by learning physics
Sheng Gong, Shuo Wang, Taishan Zhu +2
Two-dimensional (2D) materials have received considerable attention as possible electrodes in Li-ion batteries (LIBs), although a deeper understanding of the Li adsorption behavior…
Charting Lattice Thermal Conductivity of Inorganic Crystals
Taishan Zhu, Sheng Gong, Tian Xie +2
Thermal conductivity is a fundamental material property but challenging to predict, with less than 5% out of about synthesized inorganic materials being documented. In this…
Predicting charge density distribution of materials using a local-environment-based graph convolutional network
Sheng Gong, Tian Xie, Taishan Zhu +4
Electron charge density distribution of materials is one of the key quantities in computational materials science as theoretically it determines the ground state energy and practic…