Contact Information
and Biomolecular Engineering
600 S. Mathews Ave.
292 RAL, MC-712
Urbana, IL 61801
Biography
William H. and Janet G. Lycan Professor
Research Description
Studies rates and mechanisms of catalysis, nucleation, and crystal growth with rare events techniques from molecular simulation and quantum chemistry.
Education
PhD Chemical Engineering, University of California, Berkeley, 2004
BS Mathematics, University of Missouri, 1999
BS Chemical Engineering, University of Missouri, 1999
Additional Campus Affiliations
Professor, Chemical and Biomolecular Engineering
Affiliate, Chemistry
External Links
Recent Publications
Adams, K., & Peters, B. (2026). Analytic Activation Energies and Reaction Orders from Master Equation Microkinetic Modeling. Journal of Physical Chemistry C, 130(9), 3267-3276. https://doi.org/10.1021/acs.jpcc.5c07604
Gayer, T., Kim, C. A., Buda, C., Gewirth, A., & Peters, B. G. (2026). Modeling Ion Hydration and Ion Association in the Hydroxide Reactivity toward Quaternary Ammonium Ions. Journal of Physical Chemistry C, 130(27), 9542-9552. https://doi.org/10.1021/acs.jpcc.6c01741
Ge, J., Weatherspoon, H. B., & Peters, B. (2026). Modeling the nucleation and growth of covalent organic frameworks: Size distributions and aspect ratios. Chemical Engineering Science, 323, Article 123177. https://doi.org/10.1016/j.ces.2025.123177
Gurumoorthi, A., & Peters, B. (2026). Improving individual committor estimates and data efficiency in reaction coordinate tests with the empirical Bayes method. Journal of Chemical Physics, 164(17), Article 174105. https://doi.org/10.1063/5.0320588
Wang, Y. Y., Cui, R., Kim, C. A., Meng, C., Bello, M., Fetters, E. L., Waltz, E. G., Qi, L., Heyden, A., Peters, B., Huang, W., & Sadow, A. D. (2026). A semi-flow reactor design diverts catalytic hydrogenolysis of polyolefins to metastable kinetic products. Applied Catalysis B: Environmental, 388, Article 126558. https://doi.org/10.1016/j.apcatb.2026.126558