I create and use automated, active machine learning workflows to perform density functional theory (DFT) simulations. I then use these DFT simulations to screen for new catalysts for various applications, such as carbon dioxide reduction or hydrogen evolution. My goal is to discover catalysts that are active, efficient, selective, stable, and cheap so that we can ultimately enable large-scale production of solar fuels.

But more importantly, I enjoy being with family, playing with my baby nieces, cooking/eating, shooting pool, playing ultimate frisbee, doing yoga, rock climbing, and playing racquetball.


  • Graduated from University of Delaware, 2011 (Advisor: Babatunde Ogunnaike)
  • Process Engineer (PTFE Paste Processing) from 2011-2014 at W.L. Gore & Associates
  • Process Engineer (Bioresorbable Polymer Synthesis) from 2014-2016 at W.L. Gore & Associates

Email ktran (at) andrew.cmu.edu