Theory and Simulation of Nanostructured Materials for Photovoltaic Applications. - Yosuke Kanai; Jeffrey B. Neaton; Jeffrey C. Grossman (Comput. Sci. Eng., 2010)

Beyond electronics, beyond optics: single circuit parallel computing with phonons - Sophia Sklan; Jeffrey C. Grossman (CoRR, 2013)

Machine Learning Enabled Computational Screening of Inorganic Solid Electrolytes for Dendrite Suppression with Li Metal Anode. - Zeeshan Ahmad; Tian Xie; Chinmay Maheshwari; Jeffrey C. Grossman; Venkatasubramanian Viswanathan (CoRR, 2018)

Hierarchical Visualization of Materials Space with Graph Convolutional Neural Networks. - Tian Xie; Jeffrey C. Grossman (CoRR, 2018)

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)