Warburton Lab at Case Western Reserve University

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

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!
September 2025: Saransh, Hasan, and Noah present posters at the Pittsburgh–Cleveland Catalysis Society (PCCS) Symposium at Penn State! Congratulations to Noah, who was awarded runner-up for best student poster at the symposium! Rob also delivers the PCCS Early Career Presentation.
August 2025: Noah's perspective about modeling hydrogen atom rate constants in heterogeneous catalysis is published in ACS Catalysis!
June 2025: Noah presents about modeling hydrogen atom transfer in heterogeneous catalysis at the NAM29 Meeting in Atlanta, GA! Rob also presents about modeling PCET rate constants on metal and metal oxides surfaces.

Recent Publications

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.

27. Interfacial Electric Fields Drive Rearrangement of Adsorbed Cysteine and Electrolyte Ions on Au Electrodes. HR Sudhakar, JN Renner, RE Warburton, J. Phys. Chem. C 2024, 128, 18063–18073.