Publications

  1. Learning Design Rules for Catalysts through Computational Chemistry and Machine Learning. in Exploring Chemical Concepts through Theory and Computation, ed. Shubin Liu, in press.
  2. Section Introduction: Molecular Interactions and Catalysis. in Comprehensive Computational Chemistry, eds. Russell Boyd and M. Yanez, in press.
  3. Machine Learning in Chemistry. Machine Learning in Chemistry, ACS InFocus (2020).
  4. Electronic Structure and Reactivity of Transition Metal Complexes. Fuel Cell Science: Theory, Fundamentals, and Bio-Catalysis, 433-455 (2010).