Tian Xie

Crystal Graph Convolutional Neural Networks for an Accurate and Interpretable Prediction of Material Properties

Tian Xie, Jeffrey C. Grossman · Physical Review Letters · 2018 · 2.6K citations · Full text

Natural Sciences, Materials Engineering, Materials Science +17

A generative model for inorganic materials design

Claudio Zeni, Robert Pinsler, Daniel Zügner et al. · Nature · 2025 · 367 citations · Full text

Natural Sciences, Materials Engineering, Materials Science +14

Graph dynamical networks for unsupervised learning of atomic scale dynamics in materials

Tian Xie, Arthur France‐Lanord, Yanming Wang et al. · Nature Communications · 2019 · 142 citations · Full text

Natural Sciences, Materials Engineering, Materials Science +11

Toward Designing Highly Conductive Polymer Electrolytes by Machine Learning Assisted Coarse-Grained Molecular Dynamics

Yanming Wang, Tian Xie, Arthur France‐Lanord et al. · Chemistry of Materials · 2020 · 113 citations

Natural Sciences, Chemistry, Materials Science +17

Charting lattice thermal conductivity for inorganic crystals and discovering rare earth chalcogenides for thermoelectrics

Taishan Zhu, Ran He, Sheng Gong et al. · Energy & Environmental Science · 2021 · 103 citations · Full text

Natural Sciences, Materials Science, Physics +17