James Shepherd

James Shepherd is an Adjunct Associate Professor in the Department of Chemistry at the University of Iowa's College of Liberal Arts and Sciences. He holds a PhD, MSci, and BA from the University of Cambridge and has held postdoctoral research positions at MIT (2015-2017) and Rice University (2013-2015).

• Education
  • PhD, University of Cambridge
  • MSci, University of Cambridge
  • BA, University of Cambridge

His research focuses on computational physical chemistry, particularly in electronic structure theory for heterogeneous catalysis and nanotechnology. He combines band theory and molecular orbital models to study how molecular properties at interfaces influence catalyst design and renewable energy technologies like solar cells and fuel cells. Key projects include understanding electron behavior in oxygen-splitting reactions, hot electron dynamics, and surface defect calculations for catalytic systems.

Recent work emphasizes quantum chemistry applications in fuel cell electrode design and quantum mechanical modeling of catalytic processes, supported by collaborations with the Daly (inorganic chemistry) and Williams (organic chemistry) research groups.

• Scientific Awards
  • NSF CAREER Award
  • U.S. Department of Energy Early Career Award