Faculty

DEPARTMENT OF CHEMISTRY, SEOUL NATIONAL UNIVERSITY.

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

Our goal is to study the structural and dynamic properties of complex molecular systems to better understand the relationship between molecular interactions and their dynamics via fruitful and novel combinations of statistical mechanical theories and computer simulation methods. Molecular understanding of the dynamic behavior of complex molecular systems lies at the heart of physical chemistry. To answer these challenging questions, we have studied on several important classes of molecular and materials systems, including ionic liquids, glasses, polymers, graphene, 2D materials, and energy-storage devices. In those studies, we developed statistical mechanical theories for these models and perform dynamical simulations to reveal the structures and dynamics involving a wide range of time and length scales. Our recent endeavor has been extended to the development of free energy calculation methods based on machine-learning models and multi-stage sampling strategy. We are currently developing trajectory-ensemble statistical mechanical theories to study classical and quantum dynamical phase transitions of chemically important systems. We are also investigating charge transport dynamics in organic materials.

Education

  • 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

Career

  • 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

Papers

  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

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
Sang Sub Han, Jong Hun Kim, Chanwoo Noh, Jung Han Kim, Eunji Ji, Junyoung Kwon, Seung Min Yu, Tae-Jun Ko, Emmanuel Okogbue, Kyu Hwan Oh, Hee-Suk Chung, YounJoon Jung, Gwan-Hyoung Lee, Yeonwoong Jung
ACS Applied Materials & Interfaces, 2019, 11, 14, (2019-04-10) Link