Warburton Lab at Case Western Reserve University
Warburton Lab at Case Western Reserve University
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We are a computational materials research group in the Department of Chemical and Biomolecular Engineering at Case Western Reserve University. Our research uses theoretical calculations to analyze the structure and reactivity of interfaces for applications in energy storage and catalysis.
Recent News
Recent News
July 2026: Zeynep's paper in collaboration with the Wainright Lab about HER in concentrated hydrogen-bonded electrolytes is published in JES!
June 2026: Rob presents about our group's work on thermal and electrochemical PCET at the Catalysis GRC!
June 2026: Noah presents about modeling CH4 decomposition rate constants in heterogeneous catalysis at the Pittsburgh–Cleveland Catalysis Society (PCCS) Symposium at Penn State! Hasan, Terry, and Saransh also presented posters on their research at the symposium!
May 2026: Hasan presents about modeling electrochemical PCET free energy surfaces using ab initio molecular dynamics at the Spring 2026 ECS Meeting in Seattle! Rob also presents about models of quinone electrochemistry in concentrated hydrogen-bonded electrolytes.October 2025: Welcome to Terry Idahor, who joined the Warburton Lab as a new PhD student!
October 2025: Congratulations to Zeynep, who passed her Second Proposition candidacy exam!
October 2025: Rob's perspective about coupled ion–electron transfer and the recent article by the Bazant and Shao-Horn groups is published in Science!
Recent Publications
Recent Publications
33. Elucidating the Mechanism of Hydrogen Evolution on Platinum Electrodes in Concentrated Hydrogen-Bonded Electrolytes. Z Bagbudar, Z Syum, Q Spitzer, RE Warburton, J Wainright, J. Electrochem. Soc. 2026, 173, 146503.
32. Battery Charging Goes Quantum. RE Warburton, Science 2025, 390, 27–28.
31. Modeling Hydrogen Atom Rate Constants in Heterogeneous Catalysis. N South, RE Warburton, ACS Catal. 2025, 15, 14895–14907.
29. Low-Temperature Direct Oxidation of Propane to Propylene Oxide Using Supported Subnanometer Cu Clusters. A Halder, RE Warburton, G Sun, L Cheng, RS Assary, S Seifert, M Homer, J Greeley, AN Alexandrova, P Sautet, LA Curtiss, S Vajda, ACS Catal. 2025, 15, 5760–5769.
28. Integrated Carbon Dioxide Capture by Amines and Conversion to Methane on Single-Atom Nickel Catalysts. T Neves-Garcia, M Hasan, Q Zhu, Z Jiang, Y Liang, H Wang, LM Rossi, RE Warburton, LR Baker, J. Am. Chem. Soc. 2024, 146, 31633–31646.
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