KyuJung Jun
Affiliations. Postdoc at MIT DMSE, Ph.D. UC Berkeley (2024)

MIT Bldg. 13, 5041
Cambridge, MA 02139
Welcome! đ
I am a postdoc at MIT, DMSE, working with Prof. Rafael GĂłmez-Bombarelli. I received my Ph.D. from Department of Materials Science and Engineering, University of California, Berkeley
, advised by Professor Gerbrand Ceder. I obtained my Bachelorâs degree in 2018 from Seoul National University, S. Korea (Major: Nuclear engineering, Minor: Materials Science and Engineering).
My research focuses on the computational discovery and mechanistic understanding of fast Li-ion conductors across diverse chemical spaces, including inorganic crystals, polymers, and molecular systems, for electrochemical energy storage. I leverage quantum mechanical and classical models, machine learning-accelerated simulations, trajectory analysis algorithms, and thermodynamics to uncover design principles that enable safer and more efficient energy storage devices.
I am particularly excited about harnessing machine learning-driven simulations to extend the spatiotemporal reach of physical insights and uncover unprecedented physical phenomena that were previously unattainable with expensive quantum mechanical calculations or less-accurate classical models.
news
Mar 26, 2025 | I will be attending ACS 2025 Spring at San Diego! At this conference, I will be giving a talk on âQuantifying transport mechanisms in molecular dynamics simulations of electrolytes via event detection algorithmsâ in Synthesis & Characterization of Novel Liquid Electrolytes for Rechargeable Batteries session on March 26th, 2025. |
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Feb 13, 2025 | Matter article published on Lithium oxychlorides! |
Feb 03, 2025 | Advanced Energy Materials article published on high-throughput search of sacrificial cathode additives! |
Dec 04, 2024 | At MRS 2024 Fall in Boston, I am participating in the âMeet the Faculty Candidatesâ poster session! Feel free to drop by to discuss about my research vision. |
Sep 12, 2024 | Nature Reviews Materials article published on Li diffusion mechanisms! |