Dr. Zhongyue (John) Yang
Department of Modeling and Simulations
Physical location: TN, USA
  • Postdoctoral training, Chemical Engineering, Massachusetts Institute of Technology, 2020
  • Ph.D., Theoretical and Computational Chemistry, University of California, Los Angeles, 2017
  • B.Sc., Chemistry, Nankai University, 2013
Dr. Zhongyue Yang is an expert in large-scale electronic structure simulations, enhanced-sampling molecular dynamics, and reaction dynamics simulations to investigate chemical transformations in solvent and in enzyme. He is actively exploring tremendous opportunities in the interface between computational chemical biology and data science. Dr. Yang has published more than 30 research papers (selected publications are available here).

Dr. Yang is currently a postdoc with Prof. Heather Kulik at the Department of Chemical Engineering, Massachusetts Institute of Technology (Cambridge, MA). He will soon be joining Vanderbilt University as an Assistant Professor of Chemistry with affiliation to the Data Science Institute. As a new faculty, Zhongyue would be interested in developing and applying computational platforms to design and discover new biomolecules that are critical for catalytic, medicinal, energy and environmental uses.
Please contact Dr. Yang to learn more about collaborative opportunities.