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Christopher Chang

Scientist IV: Computational Science

(303) 275-3751

Dr. Christopher Chang is a senior scientist in the Computational Science Center. He received a B.S. degree in biochemistry from Virginia Tech, and a Ph.D. for work on mechanistic aspects of lysine aminomutases with Dr. Perry Frey at the University of Wisconsin-Madison. After postdoctoral work on the manganese-dependent enzyme oxalate decarboxylase, he changed fields to focus on computational chemistry, particularly as applied to complex electronic structure in catalytic transition metal systems. At NREL, he has worked on modeling protein dynamics, comparative chemical bonding analysis in complex metalloclusters, electron transfer, and large-scale metabolic chemical models.


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

Research Interests 

  • Chemical reaction modeling and simulation
  • Molecular 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. Nag, A.; Karpinets, T.; Chang, C.H.; Bar-Peled, M. (2012). "Enhancing a Pathway-Genome Database (PGDB) to Capture Subcellular Localization: The Nucleotide-sugar Biosynthetic Pathways of Populus trichocarpa." Database
  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 Discern Catalytically Relevant Features of the Natural Diatomic Ligand Configuration." J. Phys. Chem. A (115);
  4. Nag, A.; Lunacek, M.; Graf, P.; Chang, C.H. (2011). "Kinetic Modeling and Exploratory Numerical Simulation of Chloroplastic Starch Degradation." BMC Sys. Biol (5:94);
  5. Bu, L.; Beckham, G.T.; Crowley, M.F.; Chang, C.H.; Matthews, J.F.; Bomble, Y.J.; Adney, W.S.; Himmel, M.E.; Nimlos, M.R. (2009). "The Energy Landscape for the Interaction of the Family 1 Carbohydrate-Binding Module and the Cellulose Surface Is Altered by Hydrolyzed Glycosidic Bonds." J. Phys. Chem. (113:31); pp. 10994-11002.