교수
정연준 Jung, YounJoon
계산 나노-바이오 화학 연구실
LAB Website
LAB Website
OFFICE
502-224
/
02-880-4085
LAB
502-202,220
/
02-880-4369
E-MAIL yjjung@snu.ac.kr
연구내용
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.
학력
- 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
주요 경력
- 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
주요 논문
- “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)
- “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)
- “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)
- “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)
- “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)
- "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)
논문 검색
Hyuntae Lim, YounJoon Jung
Hyuntae Lim, YounJoon Jung
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
59. Cooperative Conformational Change of a Single Organic Molecule for Ultrafast Rechargeable Batteries
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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