Changhae Andrew Kim

Brookhaven National Laboratory

Center for Functional Nanomaterials
Bldg. 735
P.O. Box 5000
Upton, NY 11973-5000

ckim6@bnl.gov

Expertise | Education | Appointments | Publications

Expertise

• Quantum chemical simulations
• Kinetic modeling
• Machine learning
• OLED
• Heterogeneous catalysis

Education

•    Sc.B. Chemical Physics, Brown University, 2017
•    Ph.D. Chemistry, Massachusetts Institute of Technology, 2022

Professional Appointments

• 2022–2025: Postdoctoral Research Associate, Chemical & Biomolecular Engineering, University of Illinois Urbana-Champaign
• 2025–present: Research Associate Materials Science, Center for Functional Nanomaterials, Brookhaven National Laboratory

Selected Publications

• Kim CA, Shayesteh Zadeh A, Peters B (2024) Ethylene Polymerization Activity vs Grafting Affinity Trade-off Revealed by Importance Learning Analysis of In Silico Phillips Catalyst. The Journal of Physical Chemistry C 128:19166–19181. https://doi.org/10.1021/acs.jpcc.4c05331
• Kim CA, Sahasrabudhe CA, Wang Y-Y, et al (2024) Population Balance Equations for Reactive Separation in Polymer Upcycling. Langmuir 40:4096–4107. https://doi.org/10.1021/acs.langmuir.3c03004
• Kim CA, Hu S, Van Voorhis T (2023) Mechanism of Enhanced Triplet–Triplet Upconversion in Organic Molecules. The Journal of Physical Chemistry A 127:7175–7185. https://doi.org/10.1021/acs.jpca.3c03214
• Kim CA, Van Voorhis T (2022) Heterogeneous Pair Approximation of Methanol Oxidation on TiO2 Reveals Two Reaction Pathways. The Journal of Physical Chemistry C 126:1845–1856. https://doi.org/10.1021/acs.jpcc.1c09932