Samuel M. Blau

Elementary Decomposition Mechanisms of Lithium Hexafluorophosphate in Battery Electrolytes and Interphases

Evan Walter Clark Spotte‐Smith, Thea Bee Petrocelli, Hetal D. Patel et al. · ACS Energy Letters · 2022 · 166 citations · Full text

Toward a Mechanistic Model of Solid–Electrolyte Interphase Formation and Evolution in Lithium-Ion Batteries

Evan Walter Clark Spotte‐Smith, Ronald L. Kam, Daniel Barter et al. · ACS Energy Letters · 2022 · 126 citations · Full text

Chemical reaction networks and opportunities for machine learning

Mingjian Wen, Evan Walter Clark Spotte‐Smith, Samuel M. Blau et al. · Nature Computational Science · 2023 · 120 citations

Chemical Engineering, Engineering, Machine Learning +5

Local protein solvation drives direct down-conversion in phycobiliprotein PC645 via incoherent vibronic transport

Samuel M. Blau, Doran I. G. Bennett, Christoph Kreisbeck et al. · Proceedings of the National Academy of Sciences · 2018 · 92 citations · Full text

BonDNet: a graph neural network for the prediction of bond dissociation energies for charged molecules

Mingjian Wen, Samuel M. Blau, Evan Walter Clark Spotte‐Smith et al. · Chemical Science · 2020 · 88 citations · Full text