The Wexler Group is led by Robert B. Wexler, Assistant Professor in the Department of Chemistry at Washington University in St. Louis. We develop computational methods and use them to study materials for hydrogen production, CO2 conversion, and solar energy conversion.
Research Areas
Surface Phase Diagrams
First-principles calculations and nested sampling predict catalyst surface structures as functions of temperature and pressure.
Solar Thermochemical Hydrogen Production
We design redox-active perovskites for solar thermochemical water splitting.
Nanocrystal Synthesis
We study how precursors affect the crystal structure and phase of chalcogenide nanocrystals during synthesis.
Selected Publications
Surface Phase Diagrams from Nested Sampling
First-principles calculations and nested sampling predict catalyst surface structures as functions of temperature and gas pressure.
Large-Scale Experimental Validation of Thermochemical Water-Splitting Oxides Discovered by Defect Graph Neural Networks
Defect graph neural networks identified candidate thermochemical water-splitting oxides for experimental validation.
Equilibrium Thermochemistry and Crystallographic Morphology of Manganese Sulfide Nanocrystals
Equilibrium thermochemistry predicts the crystal phase and morphology of manganese sulfide nanocrystals.
Principal Investigator
Robert B. Wexler
Wexler develops and applies first-principles calculations, Monte Carlo simulations, and machine-learning methods to model interfaces relevant to catalysis, solar energy conversion, and nanocrystal synthesis. He was a postdoctoral researcher at Princeton University from 2019 to 2022 and received his Ph.D. from the University of Pennsylvania in 2019.
Recruitment
The Wexler Group is recruiting Ph.D. students for all ongoing research projects. Prospective graduate students apply through the Washington University Department of Chemistry. WashU undergraduates and prospective postdoctoral researchers may inquire by email.