Our research interests are in the area of theoretical and computational chemistry. Understanding the properties and the changes of materials at the molecular level is the essence of chemistry. The main focus of our research is to study dynamical processes involved in the chemical changes leading to specific functions of molecular systems. The purpose of the research is, first, to develop theories, mathematical frameworks and computational methods for describing quantum dynamics of complex molecular systems. The second area of research concerns with the applications of computer simulations to characteristics of nano-materials, chemical reactions in condensed matter, self-assembly at surfaces/interfaces, functional mechanism of biological molecules, and understanding of protein folding and aggregation.
- Ph.D. Chemistry, The University of Chicago, USA, 1992
- M.S. Chemistry, Seoul National University, Korea, 1987
- B.S. Chemistry, Seoul National University, Korea, 1985
- Postdoctoral Fellow, The James Franck Institute, University of Chicago, USA, 1992-1994
- Postdoctoral Fellow, Department of Chemistry, University of Califonia, Santa Barbara, USA, 1994-1995
- “Computational Study on Structure and Aggregation Pathway of Aβ42 Amyloid Protofibril.” M. Lee, J. Yoon, and S. Shin, J. Phys. Chem. B 2019, 123, 7859-7868.
- “Grid-Based Ehrenfest Model To Study Electron−Nuclear Processes.” B. Y. Chang, S. Shin, V. S. Malinovsky, and I. R. Sola, J. Phys. Chem. A 2019, 123, 7171-7176.
- “Conformational Sampling of Metastable States: Tq-REM as a Novel Replica Exchange Method.” M. Lee, J. Yoon, S. Jang and S. Shin, Phys. Chem. Chem. Phys. 2017, 19, 5454-5464.
- “The role of the acidic domain of α-synuclein in amyloid fibril formation: a molecular dynamics study.” S. Park, J. Yoon, S. Jang, K. Lee and S. Shin, J. Biomol. Struct. Dyn. 2016, 34, 376-383.
- “A molecular dynamics study on controlling self-assembly of β-sheet peptides with designer nanorings.” S. Park, M. Lee and S. Shin, Chem. Asian J. 2015, 10, 1684-1689.
- “Computational Study on Removal of Epoxide from Narrow Zigzag Graphene Nanoribbons.” H. Park, J. Y. Lee and S. Shin, J. Phys. Chem. C 2014, 118, 27123-27130.
Youngbeom Jo, Jeseong Yoon, Seokmin Shin
The Journal of Physical Chemistry B, 2021, 125, 43, 12082–12094, (2021-11-04)
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, 2070-2079 , (2021-09-24)
89. Electron Attachment to the (O2···CO2) van der Waals Complex Results in a Monomeric Anion (O2–CO2)−, a Possible Form of CO4–
The Journal of Physical Chemistry A, 2021, 125, 26, 5794, (2021-07-08)
88. Site-Specific Backbone and Side-Chain Contributions to Thermodynamic Stabilizing Forces of the WW Domain
Myung Keun Cho, Song-Ho Chong, Seokmin Shin, Sihyun Ham
The Journal of Physical Chemistry B, 2021, 125, 26, 7108–7116, (2021-07-08)
Insung Kang, Je Min Yoo, Donghoon Kim, Juhee Kim, Myung Keun Cho, Seung-Eun Lee, Dong Jin Kim, Byung-Chul Lee, Jin Young Lee, Jae-Jun Kim, Nari Shin, Soon Won Choi, Young-Ho Lee, Han Seok Ko, Seokmin Shin, Byung Hee Hong, Kyung-Sun Kang
Nano Letters, 2021, 21, 5, 2339–2346, (2021-03-10)
Bo Y. Chang, Seokmin Shin, Jesús González-Vázquez, Fernando Martín, Vladimir S. Malinovsky, Ignacio R. Sola
Physical Chemistry Chemical Physics, 2019, 42, 21, 23620-23625, (2019-11-14)
MinJun Lee, Jeseong Yoon, Seokmin Shin
Journal of Physical Chemistry B, 2019, 123, 37, 7859-7868, (2019-09-19)
Bo Y. Chang, Vladimir S. Malinovsky, Seokmin Shin, Ignacio R. Sola
Journal of Materials Chemistry A, 2019, 123, 32, 7171-7176, (2019-08-15)
Donghoon Kim, Je Min Yoo, Heehong Hwang, Junghee Lee, Su Hyun Lee, Seung Pil Yun, Myung Jin Park, MinJun Lee, Seulah Choi, Sang Ho Kwon, Saebom Lee, Seung-Hwan Kwon, Sangjune Kim, Yong Joo Park, Misaki Kinoshita, Young-Ho Lee, Seokmin Shin, Seung R. Paik, Sung Joong Lee, Seulki Lee, Byung Hee Hong, Han Seok Ko
Nature Nanotechnology, 2018, 13, 812-818, (2018-09-01)
Bo Y. Chang, Seokmin Shin, Volker Engel, Ignacio R. Sola
Journal of Physical Chemistry A, 2017, 121, 43, 8280-8287, (2017-11-02)