Samuel M Blau

Publications

Viewing 3 of 3 publications

2025

Baibakova, Viktoriia, Kevin Cruse, Michael G Taylor, Carolin M Sutter-Fella, Gerbrand Ceder, Anubhav Jain, and Samuel M Blau. "Precursor reaction pathway leading to BiFeO₃ formation: insights from text-mining and chemical reaction network analyses." Digital Discovery 4.6 (2025) 1602–1611.

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Boiko, Daniil A, Thiago Reschützegger, Benjamin Sanchez-Lengeling, Samuel M Blau, and Gabe Gomes. "Advancing molecular machine learning representations with stereoelectronics-infused molecular graphs." Nature Machine Intelligence 7.5 (2025) 771–781.

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2020

Spotte‐Smith, Evan WalterCla, Peiyuan Yu, Samuel M Blau, Ravi S Prasher, and Anubhav Jain. "Aqueous Diels–Alder reactions for thermochemical storage and heat transfer fluids identified using density functional theory." Journal of Computational Chemistry 41.24 (2020) 2137–2150.

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