Christopher Chang

Sr. Research Scientist: Computational Science

(303) 275-3751

Dr. Christopher Chang is a senior scientist in the Computational Science Center. His research interests are in the applications of computational methods to multi-scale chemical and physical transformations, with experience in complex electronic structure in catalytic transition metal systems, macromolecular dynamics, comparative chemical bonding analysis, electron transfer, and chemical kinetic models for reactions in solution and on surfaces.

* IEEE (Institute of Electrical and Electronics Engineers)
* American Chemical Society

Research Interests 

  • Molecular, nanoscale, mesoscale, and continuum modeling and simulation of coupled chemical and physical processes
  • Molecular and materials energy and electron transport
  • Artificial intelligence and high-performance computational methods for chemical science


  • 1999 Ph.D., Biochemistry, University of Wisconsin-Madison

  • 1994 B.S., Biochemistry, Virginia Tech.

Selected Publications 

  1. Long, H.; King, PW; Chang, C.H. (2014). "Proton Transport in Clostridium pasteurianum [FeFe] Hydrogenase I: A Computational Study." J. Phys. Chem B (118); pp. 890-900.
  2. Lunacek, M.; Nag, A.; Alber, D.M.; Gruchalla, K.; Chang, C.H.; Graf, P.A. (2011). "Simulation, Characterization, and Optimization of Metabolic Models with the High-performance Systems Biology Toolkit." SIAM Journal on Scientific Computing (33:6); pp. 3402-3424.
  3. Chang, C.H. (2011). "Computational Chemical Analysis of [FeFe] Hydrogenase H-Cluster Analogs to Discem Catalytically Relevant Features of the Natural Diatomic Ligand Configuration." J. Phys. Chem. A (15); pp. 8691-8704.
  4. Nag, A.; Lunacek, M.; Graf, P.; Chang, C.H. (2011). "Kinetic Modeling and Exploratory Numerical Simulation of Chloroplastic Starch Degradation." BMC Sys Biol (5); pp. 94-94.