Hoje Chun
Postdoctoral Researcher @ MIT
I am a postdoctoral researcher in the Department of Materials Science and Engineering (DMSE) at the Massachusetts Institute of Technology (MIT), under the guidance of Prof. Rafael Gómez-Bombarelli. Before joing the group, I worked with Prof. Byungchan Han at Yonsei University, South Korea. I earned my Ph.D. from the Department of Chemical and Biomolecular Engineering in 2023, and I completed my Bachelor of engineering in Energy and Evironmental Science and Engineering (EESE) at the same institute in 2018.
Research Interests: During my Ph.D., I worked on the materials simulations to design adsorbents, solid ionic conductors, and catalysts materials using First-principles calculations, and devloped machine-learning interatomic potentials integrated with first-principles data for crystalline polymers and alloy nanoparticles. Currently, I am interested in high-throughput virtual screening of energy materials and multi-scale atomistic simulation of epitaxial growth for semiconductors.
Selected publications
- First-principles-based machine-learning molecular dynamics for crystalline polymers with van der Waals interactionsThe Journal of Physical Chemistry Letters, 2021
- Design of a unique anion framework in halospinels for outstanding performance of all solid-state Li-ion batteries: first-principles approachJournal of Materials Chemistry A, 2021