Human- and machine-centred designs of molecules and materials for sustainability and decarbonizationJiayu Peng, Yang Shao‐Horn, Daniel Schwalbe‐Koda et al.|Nature Reviews Materials|2022Cited by 135
Photon energy storage materials with high energy densities based on diacetylene–azobenzene derivativesGrace G. D. Han, Jeffrey C. Grossman|Journal of Materials Chemistry A|2016Cited by 116
Charting lattice thermal conductivity for inorganic crystals and discovering rare earth chalcogenides for thermoelectricsTaishan Zhu, Jeffrey C. Grossman, Ran He et al.|Energy & Environmental Science|2021Cited by 103
Examining graph neural networks for crystal structures: Limitations and opportunities for capturing periodicitySheng Gong, Jeffrey C. Grossman, Keqiang Yan et al.|Science Advances|2023Cited by 70
Predicting charge density distribution of materials using a local-environment-based graph convolutional networkSheng Gong, Jeffrey C. Grossman, Tian Xie et al.|Physical review. B./Physical review. B|2019Cited by 62