Graph Dynamical Networks: Unsupervised Learning of Atomic Scale Dynamics in Materials. - Tian Xie; Arthur France-Lanord; Yanming Wang; Yang Shao-Horn; Jeffrey C. Grossman (CoRR, 2019)

Accelerating the screening of amorphous polymer electrolytes by learning to reduce random and systematic errors in molecular dynamics simulations. - Tian Xie 002; Arthur France-Lanord; Yanming Wang; Jeffrey Lopez; Michael Austin Stolberg; Megan Hill; Graham Michael Leverick; Rafael Gómez-Bombarelli; Jeremiah A. Johnson; Yang Shao-Horn; Jeffrey C. Grossman (CoRR, 2021)

A cloud platform for automating and sharing analysis of raw simulation data from high throughput polymer molecular dynamics simulations. - Tian Xie; Ha-Kyung Kwon; Daniel Schweigert; Sheng Gong; Arthur France-Lanord; Arash Khajeh; Emily Crabb; Michael Puzon; Chris Fajardo; Will Powelson; Yang Shao-Horn; Jeffrey C. Grossman (CoRR, 2022)

Multimodal machine learning for materials science: composition-structure bimodal learning for experimentally measured properties. - Sheng Gong; Shuo Wang; Taishan Zhu; Yang Shao-Horn; Jeffrey C. Grossman (CoRR, 2023)

Decarbonization of aviation via hydrogen propulsion: technology performance targets and energy system impacts. - Anna Cybulsky; Florian Allroggen; Yang Shao-Horn; Dharik S. Mallapragada (CoRR, 2023)

Dynamic Optimization of Proton Exchange Membrane Water Electrolyzers Considering Usage-Based Degradation. - Landon Schofield; Benjamin Paren; Ruaridh Macdonald; Yang Shao-Horn; Dharik S. Mallapragada (CoRR, 2024)