Jongsuk Yoo
jsyoo84 [at] mit [dot] edu


  • PhD in Chemical Engineering – Stanford University (Advisor: Jens K. Nørskov), 2016
  • MS in Chemical & Biological Engineering – Seoul National University, 2011
  • BS in Chemical & Biological Engineering – Seoul National University, 2009

Research Interests

Recent advances in computing power mean that it is now possible to tackle complex scientific challenges using computational methods. I would like to employ density functional theory (DFT) and micro-kinetic modeling to take a meaningful step toward achieving the ultimate goal in the field of catalysis, the rational design of catalyst materials. DFT calculations can be used to examine the energetics of catalytic reactions on various solid surfaces. By utilizing the relations between the energetic parameters obtained for different surfaces in micro-kinetic modeling, the variations in catalytic activity and selectivity from one catalyst material to another can be mapped as functions of a few independent descriptors. As a result, I hope to identify some new catalyst materials as promising candidates for efficient energy storage and conversion.

Current Projects

I am currently studying electro-catalytic splitting of water to hydrogen and oxygen on oxides. I am particularly interested in studying how the oxygen evolution reaction mechanism changes depending on the binding characteristics of different oxides, and how the insights obtained from this can be used to design novel electro-catalyst materials. I am also very involved in studying the oxide-water interface to better understand the charge-transfer reactions in electrochemistry.

Personal Interests

I enjoy playing tennis and golf, watching sports, and traveling around the world.