Daniel B. K. Chu

Daniel B. K. Chu

Graduate Student

Massachusetts Institute of Technology

Daniel joined the group in December 2019 as a Ph.D. student in chemical engineering. He graduated from UC Santa Barbara with a B.S. in chemical engineering and a minor in physics. As an undergraduate, Daniel primarily worked on modeling LaMer burst nucleation in the Peters group. He became interested in electronic structure theory while using DFT for a computational study on CO2 reduction catalysts in Martin Head-Gordon’s group at UC Berkeley. Daniel’s current research in the Kulik group examines multireference character in approximate DFT and its relation to prediction error

  • electronic structure theory
  • density functional theory
  • transition metal chemistry
  • BS in Chemical Engineering, 2019

    UC Santa Barbara


  1. Ligand Additivity Relationships Enable Efficient Exploration of Transition Metal Chemical Space (2022)
  2. Detection of multi-reference character imbalances enables a transfer learning approach for chemical discovery with coupled cluster accuracy at DFT cost (2022)
  3. Large-scale comparison of 3d and 4d transition metal complexes illuminates the reduced effect of exchange on second-row spin-state energetics (2020)