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Christopher Chang

Scientist, HPC Chemistry Applications | 303-275-3751
Orcid ID

Dr. Chang is a senior scientist with NREL's Computational Science Center. While at NREL, he has worked on complex electronic structure of catalytic transition metal systems, macromolecular dynamics, comparative chemical bonding analysis, electron transfer, and high-performance computing for systems biochemistry. His current role supports high performance compuing (HPC) applications and users on NREL’s Peregrine HPC cluster, including benchmarking, assisting users with building and utilizing scientific software, workflow assistance, and technology tracking. 

Research Interests

Dynamics and control on discrete structures, including excited-state transition metal aquo complexes, metabolism, and power systems 

Machine learning and artificial intelligence applied to natural language understanding 

Carbon transformation at scale


Ph.D., Biochemistry, University of Wisconsin–Madison

  • Experimental enzymology of radical-based aminomutation

B.S., Biochemistry, Virginia Tech

  • Anaerobic microbiology and molecular biology of nitrogenase

Featured Publications

Computational Chemical Analysis of [FeFe] Hydrogenase H-Cluster Analogs to Discern Catalytically Relevant Features of the Natural Diatomic Ligand Configuration, The Journal of Physical Chemistry A (2011) 

Simulation, Characterization, and Optimization of Metabolic Models with the High-Performance Systems Biology Toolkit, SIAM Journal on Scientific Computing (2011) 

Parallel Application Performance on Two Generations of Intel Xeon HPC, NREL Technical Report TP-2C00-64268, (2015)