Hetal D Patel

A unified, probabilistic framework for structure- and ligand-based virtual screening.

Scott P. Brown, P. Hajduk, S. Swann, 2011, Journal of medicinal chemistry.

A chemically consistent graph architecture for massive reaction networks applied to solid-electrolyte interphase formation†

Samuel M. Blau, Kristin A. Persson, E. Spotte-Smith, 2020, Chemical science.

Data-Driven Prediction of Formation Mechanisms of Lithium Ethylene Monocarbonate with an Automated Reaction Network.

Samuel M. Blau, Mingjian Wen, Hetal D Patel, 2021, Journal of the American Chemical Society.

Quantum chemical calculations of lithium-ion battery electrolyte and interphase species

Samuel M. Blau, Brandon M. Wood, E. Spotte-Smith, 2021, Scientific Data.

Elementary Decomposition Mechanisms of Lithium Hexafluorophosphate in Battery Electrolytes and Interphases

Samuel M. Blau, E. Spotte-Smith, Hetal D Patel, 2022, ACS Energy Letters.

Continuum-level modeling of Li-ion battery SEI by upscaling atomistically informed reaction mechanisms

Peter J. Weddle, Andrew M. Colclasure, Samuel M. Blau, 2023, Electrochimica Acta.