Baron Peters

Baron Peters

Associate Professor


(805) 284-8293
3339 Engineering II
University of California, Santa Barbara
Santa Barbara, CA 93106-5080

Assistant Contact Information: 

Melissa Walker
(805) 893-2214
Engineering II, Room 3355

ChemE Research Areas: 


2013  Camille Dreyfus Teacher-Scholar Award
2009  NSF CAREER Award

Research Description: 

The kinetics of nucleation, electron transfer, and catalytic reactions depend on the properties of short-lived and rarely-visited transition states that cannot be directly observed in experiments. We gain insight into the properties of transition states using molecular simulation and electronic structure theory. Examples include the effects of solution additives on nucleation rates for crystallization, the dominant electron transfer conduits in realistic fluctuating environments, and catalytic reaction mechanisms. When applications pose new challenges beyond the scope of available techniques, we develop theories and algorithms to address those challenges. In particular, we specialize in path sampling methods for free energies and reaction coordinate identification, metrics for reaction coordinate error, methods to obtain accurate rate constants, and multiscale simulation approaches.

Areas of interest:

  • Solute precipitate nucleation and polymorph selection
  • Single atom catalysts on amorphous supports
  • Simulation methods for mechanistic hypothesis testing


BS: Chemical Engineering, University of Missouri - Columbia (1999)
BS: Mathematics, University of Missouri - Columbia (1999)
PhD: Chemical Engineering, University of California - Berkeley (2004)