个人简介

Education B.S. Chemistry, Seoul National University, Korea, 1985 M.S. Chemistry, Seoul National University, Korea, 1987 Ph.D. Chemistry, The University of Chicago, USA, 1992 Research Experiences 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

研究领域

PHYS/THEO

Current Research Interests 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.

近期论文

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Heesoo Park, Minwoo Woo, and Seokmin Shin. Bulletin of The Korean Chemical Society 36, 950 (2015). DFT Study on Microhydration of [Ni–Cyclam]2+ Complex with R-COO − Anions Heesoo Park, Jin Yong Lee, and Seokmin Shin. J. Phys. Chem. C 118, 27123 (2014). Computational Study on Removal of Epoxide from Narrow Zigzag Graphene Nanoribbons Bo Y. Chang, Seokmin Shin, Jesus Santamaria, Ignacio R. Sola. Chemical Physics 442, 18 (2014). Laser-assisted Ultrafast Photoassociation in HeH2+ Heesoo Park, Changkyun Shin, Seokmin Shin. Bulletin of The Korean Chemical Society 35, 1061 (2014). Wavepacket Correlation Function Approach for Nonadiabatic Reactions: Quasi-Jahn-Teller Model Bo Y. Chang, Seokmin Shin, Alicia Palacios, Fernando Martín, and Ignacio R. Sola. Journal of Chemical Physics 139, 084306 (2013). Ultrafast Coherent Control of Giant Oscillating Molecular Dipoles in the Presence of Static Electric fields Tae-Rae Kim, Joshua SungWoo Yang, Seokmin Shin, and Jinhyuk Lee. Proteins: Structure, Function, and Bioinformatics 81, 1156 (2013). Statistical torsion angle potential (STAP) energy functions for protein structure modeling: A bicubic interpolation approach Bo Y. Chang, Seokmin Shin, Alicia Palacios, Fernando Martin, and Ignacio R. Sola. ChemPhysChem 14, 1405 (2013). Two-Pulse Control of Large-Amplitude Vibrations in H2+ Tae-Rae Kim, Sunyoung Ji, Sanghyuk Lee, In-Sun Chu, Seokmin Shin, and Jinhyuk Lee. Chemical Physics Letters 554, 190 (2012). A hybrid modeling strategy using Nuclear Overhauser Effect data with contact information Samuel C. Flores, Julie Bernauer, Seokmin Shin, Ruhong Zhou, and Xuhui Huang. Brief Bioinform. 13, 395 (2012). Multiscale modeling of macromolecular biosystems Heesoo Park, Jin Yong Lee, and Seokmin Shin. J. Phys. Chem. C 116, 20054 (2012). Tuning of the Band Structures of Zigzag Graphene Nanoribbons by an Electric Field and Adsorption of Pyridine and BF3: A DFT Study Tae-Rae Kim, Sangho Oh, Joshua SungWoo Yang, Sanghyuk Lee, Seokmin Shin, and Jinhyuk Lee. Journal of Computational Chemistry 33, 1927 (2012). A simplified homology-model builder toward highly protein-like structures: An inspection of restraining potentials Tae-Rae Kim, Seokmin Shin, and Cheol Ho Choi. The Journal of Chemical Physics 136, 214704 (2012). Relativistic potential energy surfaces of initial oxidations of Si(100) by atomic oxygen: The importance of surface dimer triplet state Bo Y. Chang and Seokmin Shin. J. Phys. Chem. A 116, 2691 (2012). Ultrafast Control of the Internuclear Distance with Parabolic Chirped Pulses SeongByeong Park, Jeseong Yoon, Soonmin Jang, Kyunghee Lee, and Seokmin Shin. Bull. Korean Chem. Soc. 33, 848 (2012). Computational Study on Oligomer Formation of Fibril-forming peptides of ┒-Synuclein Gyu Rie Lee, Woong-Hee Shin, Hahnbeom Park, Seokmin Shin, and Chaok Seok. Bull. Korean Chem. Soc. 33, 770 (2012). Conformational Sampling of Flexible Ligand-binding Protein Loops Won-joon Son, Soonmin Jang, and Seokmin Shin. Journal of Molecular Modeling 18, 213 (2012). Simulated Q-annealing: conformational search with an effective potential Bo Y. Chang, Seokmin Shin, Jesus Santamaria, and Ignacio R. Sola. The Journal of Chemical Physics 134, 144303 (2011). Laser adiabatic manipulation of the bond length of diatomic molecules with a single chirped pulse Ignacio R. Sola, Seokmin Shin, and Bo Y. Chang. The Journal of Chemical Physics 134, 104301 (2011). Bond Lengths of Diatomic Molecules Periodically Driven by Light: The p-LAMB Scheme Il-Soo Park, You-Rim Yoon, Minseon Jung, Kimoon Kim, SeongByeong Park, Seokmin Shin, Yong-beom Lim, and Myongsoo Lee. Chem. - Asian J. 6, 452-458 (2011). Designer Nanorings with Functional Cavities from Self-Assembling ┑-Sheet Peptides Bo Y. Chang, Seokmin Shin, and Ignacio R. Sola. Phys. Rev. A 82, 063414 (2010). Inducing changes in the bond length of diatomic molecules by time-symmetric chirped pulses