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)