1.3k citations · 2k across the 23 of their papers we have counts for
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Representation of Inorganic Synthesis Reactions and Prediction: Graphical Framework and Datasets
Samuel Andrello, Daniel Alabi, Simon J. L. Billinge
While machine learning has enabled the rapid prediction of inorganic materials with novel properties, the challenge of determining how to synthesize these materials remains largely…
The Future of Artificial Intelligence and the Mathematical and Physical Sciences (AI+MPS)
Andrew Ferguson, Marisa LaFleur, Lars Ruthotto +97
This community paper developed out of the NSF Workshop on the Future of Artificial Intelligence (AI) and the Mathematical and Physics Sciences (MPS), which was held in March 2025 w…
scikit-package -- software packaging standards and roadmap for sharing reproducible scientific software
S. Lee, C. Myers, A. Yang +2
Scientific advancement relies on the ability to share and reproduce results. When data analysis or calculations are carried out using software written by scientists there are speci…