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The last 5 uploaded publications
A Foundational Potential Energy Surface Dataset for Materials
Aaron D. Kaplan, Runze Liu, Ji Qi, Tsz Wai Ko, Bowen Deng, Janosh Riebesell, Gerbrand Ceder, Kristin A. Persson, Shyue Ping Ong (2025). A Foundational Potential Energy Surface Dataset for Materials. , DOI: https://doi.org/10.48550/arxiv.2503.04070.
Preprint78 days agoMaterials Graph Library (MatGL), an open-source graph deep learning library for materials science and chemistry
Tsz Wai Ko, Bowen Deng, Marcel Nassar, Luis Barroso-Luque, Runze Liu, Ji Qi, Atul C. Thakur, Amiya Kanta Mishra, Eric Hsien Lung Liu, Gerbrand Ceder, Santiago Miret, Shyue Ping Ong (2025). Materials Graph Library (MatGL), an open-source graph deep learning library for materials science and chemistry. , 11(1), DOI: https://doi.org/10.1038/s41524-025-01742-y.
Article78 days agoRightsizing AI Models and Datasets for Materials Design
Shyue Ping Ong, Aaron D. Kaplan, Runze Liu, Ji Qi, Tsz Wai Ko, Bowen Deng, Gerbrand Ceder, Kristin A. Persson (2025). Rightsizing AI Models and Datasets for Materials Design. , MA2025-02(7), DOI: https://doi.org/10.1149/ma2025-027989mtgabs.
Article78 days agoMaterials Graph Library (MatGL), an open-source graph deep learning library for materials science and chemistry
Tsz Wai Ko, Bowen Deng, Marcel Nassar, Luis Barroso-Luque, Runze Liu, Ji Qi, Eric Hsien Lung Liu, Gerbrand Ceder, Santiago Miret, Shyue Ping Ong (2025). Materials Graph Library (MatGL), an open-source graph deep learning library for materials science and chemistry. , DOI: https://doi.org/10.48550/arxiv.2503.03837.
Preprint78 days ago