교수

신석민 Shin, Seokmin

동역학 이론 연구실
LAB Website

OFFICE 502-225 / 02-880-6639

LAB 502-226,231,232 / 02-880-4356

E-MAIL sshin@snu.ac.kr

RESEARCH AREAS

# 물리화학

# 이론/계산

연구내용

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.

학력

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

주요 경력

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

주요 논문

“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.