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

Giyeong Son, Vitalii Ri, Chanwoo Noh, Hongkwan Yoon, Sunghyun Ko, Joonhee Moon, YounJoon Jung, Chan Beum Park, Chunjoong Kim
ACS Energy Letters, 2021, 6, 5, (2021-05-14) Link
Gyehyun Park, Myung Keun Cho, YounJoon Jung
Journal of Chemical Theory and Computation, 2021, 17, 3, (2021-03-09) Link
Md Ashraful Islam, Hao Li, Seokjin Moon, Sang Sub Han, Hee-Suk Chung, Jinwoo Ma, Changhyeon Yoo, Tae-Jun Ko, Kyu Hwan Oh, YounJoon Jung, Yeonwoong Jung
ACS Applied Materials & Interfaces, 2020, 12, 47, (2020-11-25) Link
Mashiyat Sumaiya Shawkat, Jaeyoung Gil, Sang Sub Han, Tae-Jun Ko, Mengjing Wang, Durjoy Dev, Junyoung Kwon, Gwan-Hyoung Lee, Kyu Hwan Oh, Hee-Suk Chung, Tania Roy, YounJoon Jung, Yeonwoong Jung
ACS Applied Materials & Interfaces, 2020, 12, 12, (2020-03-25) Link
Mengjing Wang, Tae-Jun Ko, ashiyat Sumaiya Shawkat, Sang Sub Han, Emmanuel OkogbueEmmanuel Okogbue, Hee-Suk Chung, Tae-Sung Bae, Shahid Sattar, Jaeyoung Gil, Chanwoo Noh, Kyu Hwan Oh, YounJoon Jung, J. Andreas Larsson, Yeonwoong Jung
ACS Applied Materials & Interfaces, 2020, 12, 9, (2020-03-04) Link
Jihyeon Kim, Sunghyun Ko, Chanwoo Noh, Heechan Kim, Sechan Lee, Dodam Kim, Hyeokjun Park, Giyun Kwon, Giyeong Son, Jong Wan Ko, YounJoon Jung, Dongwhan Lee, Chan Beum Park, Kisuk Kang
Angewandte Chemie-International Edition, 2019, 58, 47, (2019-11-18) Link
Mengjing Wang, Jung Han Kim, Sang Sub Han, Minyeong Je, Jaeyoung Gil, Chanwoo Noh, Tae-Jun Ko, Kyu Seung Lee, Dong Ick Son, Tae-Sung Bae, Hyeon Ih Ryu, Kyu Hwan Oh, YounJoon Jung, Heechae Choi, Hee-Suk Chung, Yeonwoong Jung
Journal of Physical Chemistry C, 2019, 123, 45, (2019-11-14) Link