Hoje Chun

Postdoctoral Researcher @ MIT

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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

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    First-principles study on ultrafast Li-ion diffusion in halospinel Li2Sc2/3Cl4 through multichannels designed by aliovalent doping
    Suseong Hyun+, Hoje Chun+, Minjoon Hong, Joonhee Kang, and Byungchan Han*
    Journal of Materials Chemistry A, 2023
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    First-principle-data-integrated machine-learning approach for high-throughput searching of ternary electrocatalyst toward oxygen reduction reaction
    Hoje Chun+, Eunjik Lee+, Kyungju Nam, Ji-Hoon Jang, Woomin Kyoung, Seung Hyo Noh*, and Byungchan Han*
    Chem Catalysis, 2021
  3. jpcl_cover_2021_ml.jpg
    First-principles-based machine-learning molecular dynamics for crystalline polymers with van der Waals interactions
    Sung Jun Hong+, Hoje Chun+, Jehyun Lee, Byung-Hyun Kim, Min Ho Seo, Joonhee Kang*, and Byungchan Han*
    The Journal of Physical Chemistry Letters, 2021
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    Design of a unique anion framework in halospinels for outstanding performance of all solid-state Li-ion batteries: first-principles approach
    Hoje Chun, Kyungju Nam, Sung Jun Hong, Joonhee Kang*, and Byungchan Han*
    Journal of Materials Chemistry A, 2021