Associate Professor

Jung, YounJoon

Computational Nano-Bio Chemistry Lab
LAB Website
OFFICE 502-224 / +82-2-880-4085
LAB 502-202,220 / +82-2-880-4369

Research Topic

As a theoretical and computational chemistry group, we are currently interested in understanding structure and dynamics of complex chemical, biophysical, and nano-scale systems. We use statistical mechanical theories and computer simulation methods to elucidate structure and dynamics of those systems. In particular, we are currently focusing our efforts on several research topics, including complex fluids, computational nano-optics, bio-physics, and single molecule dynamics. Our research involves formulating statisitcal models for molecular systems, developing efficient computer simulation methods, and performing molecular modeling studies.


  • Ph.D. Chemistry, Massachusetts Institute of Technology, USA, 2002
  • M.S. Chemistry, Seoul National University, Korea, 1997
  • B.S. Chemistry, Seoul National University, Korea, 1994


  • Postdoctoral Research Associate, MIT, 2002
  • Miller Research Fellow, University of California, Berkeley, 2002-2005
  • Visiting Scholar, University of Oxford, 2003
  • Visiting Postdoctoral Fellow, Lawrence Berkeley National Laboratory, 2005
  • Research Associate, Northwestern University, 2005-2006


  1. “Computer simulation study of graphene oxide supercapacitors: charge screening mechanism,” S.-W. Park, A. D. DeYoung, N. R. Dhuma, Y. Shim, H. J. Kim, and Y. Jung, J. Phys. Chem. Lett. 7(7), pp.1180-1186 (2016)
  2. “The nature of hydrated protons on platinum surfaces,” Y. Kim, C. Noh, Y. Jung, and H. Kang, Chem. Eur. J., 2017, 23, 69, pp.17566-17575, (2017)
  3. “Understanding the charging Dynamics of an ionic liquid electric double layer capacitor via molecular dynamics simulations,” C. Noh and Y. Jung, PCCP 21(13), pp.6790-6800 (2019)
  4. “Many-chain effects on the co-nonsolvency of polymer brushes in a good solvent mixture,” G. Park and Y. Jung, Soft Matter 15(39), pp.7968-7980 (2019)
  5. “Delfos: deep learning model for prediction of solvation free energies in generic organic solvents,” H. Lim and Y. Jung, Chem. Sci. 10(36), pp.8306-8315 (2019)
  6. "Sequence-dependent kink formation in short DNA Loops: theory and molecular dynamics simulations," G. Park, M. Cho, and Y. Jung, J. Chem. Theory Comput., 17 (3), pp.1308-1317 (2021)

Search Papers

Youngjin Ham, Chungryeol Kim, Donghan Shin, Il-Doo Kim, Kisuk Kang, YounJoon Jung, Dongwhan Lee, Seokwoo Jeon
Small, 2023, (2023-07-02) Link
Juno Nam, YounJoon Jung
Journal of Chemical Theory and Computation, 2023, 19, 10, (2023-05-23) Link
Myeong Hwan Lee, Giyun Kwon, Hyuntae Lim, Jihyeon Kim, Sung Joo Kim, Sechan Lee, Hyungsub Kim, Donggun Eum, Jun-Hyuk Song, Hyeokjun Park, Won Mo Seong, YounJoon Jung, Kisuk Kang
ACS Energy Letters, 2022, 7, 10, (2022-10-14) Link
Gyehyun Park, Malina Bilo, Michael Fröba, YounJoon Jung, Young Joo Lee
The Journal of Physical Chemistry C, 2022, 126, 34, (2022-09-01) Link
Sang Sub Han, Mashiyat Sumaiya Shawkat, Yoong Hee Lee, Gyehyun Park, Hao Li, Hee-Suk Chung, Changhyeon Yoo, Sohrab Alex Mofid, Shahid Sattar, Nitin Choudhary, Jea-Young Choi, YounJoon Jung, Jung Han Kim, Yeonwoong Jung
Chemistry of Materials, 2022, 34, 15, (2022-08-09) Link
Hyuntae Lim, YounJoon Jung
Journal of Chemical Physics, 2022, 156, 13, (2022-04-04) Link
Hyuntae Lim, YounJoon Jung
Bulletin of the Korean Chemical Society, 2022, 43, 5, (2022-02-22) Link
Sunyoung Kang, Chanwoo Noh, Hyosik Kang, Ji-Yeon Shin, So-Young Kim, Seulah Kim, Moon-Gi Son, Eunseok Park, Hyun Kyu Song, Seokmin Shin, Sanghun Lee, Nak-Kyoon Kim, YounJoon Jung, Yan Lee
JACS Au, 2021, 1, 11, (2021-09-24) Link