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Min, Seung Kyu (민승규)

Department
Department of Chemistry(화학과)
Website
http://skmin.unist.ac.kr/
Lab
Theoretical/Computational Chemistry Group for Excited State Phenomena (들뜬 상태 현상 이론/전산화학 연구실)
Research Keywords
들뜬 상태 동역학, 광합성, 태양전지, 광유도 분자 기계 소자, Excited state dynamics, photosynthesis, solarcell, Light-driven molecular machine
Research Interests
The electron-nuclear correlation plays a major role in dynamial processes like a chemical reaction with an extra energy and the light-matter interaction. Such cases are called as excited state phenomena which are actually ubiquitous in nature like vision process and photosynthesis. In our research group, we are interested in the theoretical/computational description of excited state phenomena and its applications with following questions:
(a) How can we describe correlated electron-nuclear motions correctly?(b) How can we deal with chemical reactions in the excited states theoretically?(c) Based on our knowledge, how can we design functional molecular devices such as energy materials, nano-electronic/photonic devices?
So far we have achieved several things. First, we have developed a novel efficient numerical algorithm for excited state dynamics with multiple "interacting" classical trajectories. This original method outperforms the conventional approaches in a sense that it can describe the exact nuclear dynamics in the excited states as well as the correct electronic dynamics. Currently we focus on understanding chemical dynamics on excited states (such as photosynthesis and vision process) and designing novel molecular functional devices based on our approach.
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Issue DateTitleAuthor(s)TypeViewAltmetrics
2022-02Coupled- and Independent-Trajectory Approaches Based on the Exact Factorization Using the PyUNIxMD PackageKim, Tae In; Ha, Jong-Kwon; Min, Seung KyuARTICLE84 Coupled- and Independent-Trajectory Approaches Based on the Exact Factorization Using the PyUNIxMD Package
2022-02Spatial distribution modulation of mixed building blocks in metal-organic frameworksJeong, Seok; Seong, Junmo; Moon, Sung Wook, et alARTICLE91 Spatial distribution modulation of mixed building blocks in metal-organic frameworks
2022-01Electrochemical Formation of a Covalent-Ionic Stage-1 Graphite Intercalation Compound with Trifluoroacetic AcidGurzeda, Bartosz; Kim, Tae In; Arsakay, Madi, et alARTICLE71 Electrochemical Formation of a Covalent-Ionic Stage-1 Graphite Intercalation Compound with Trifluoroacetic Acid
2022-01Proton affinity and gas phase basicity of diamandoid molecules: diamantane to C131H116Camacho-Mojica, Dulce C.; Ha, Jong-Kwon; Min, Seung Kyu, et alARTICLE27 Proton affinity and gas phase basicity of diamandoid molecules: diamantane to C131H116
2021-09PyUNIxMD: A Python-based excited state molecular dynamics packageLee, In Seong; Ha, Jong-Kwon; Han, Daeho, et alARTICLE111 PyUNIxMD: A Python-based excited state molecular dynamics package
2021-07Study of the Decoherence Correction Derived from the Exact Factorization Approach for Nonadiabatic DynamicsVindel-Zandbergen, Patricia; Ibele, Lea M.; Ha, Jong-Kwon, et alARTICLE119 Study of the Decoherence Correction Derived from the Exact Factorization Approach for Nonadiabatic Dynamics
2021-05pH-Responsive Amphiphilic Polyether Micelles with Superior Stability for Smart Drug DeliverySon, Iloh; Lee, Yujin; Baek, Jinsu, et alARTICLE71 pH-Responsive Amphiphilic Polyether Micelles with Superior Stability for Smart Drug Delivery
2021-02Machine Learning-Assisted Excited State Molecular Dynamics with the State-Interaction State-Averaged Spin-Restricted Ensemble-Referenced Kohn-Sham ApproachHa, Jong-Kwon; Kim, Kicheol; Min, Seung KyuARTICLE211 Machine Learning-Assisted Excited State Molecular Dynamics with the State-Interaction State-Averaged Spin-Restricted Ensemble-Referenced Kohn-Sham Approach
2020-08Self‐Assembly of Mitochondria‐Targeted Photosensitizer to Increase Photostability and Photodynamic Therapeutic Efficacy in HypoxiaJana, Batakrishna; Thomas, Ajesh P.; Kim, Sangpil, et alARTICLE208 Self‐Assembly of Mitochondria‐Targeted Photosensitizer to Increase Photostability and Photodynamic Therapeutic Efficacy in Hypoxia
2020-06Effect of Pt Crystal Surface on Hydrogenation of Monolayer h-BN and Its Conversion to GrapheneKim, Minsu; Moon, Sung Wook; Kim, Gwangwoo, et alARTICLE286 Effect of Pt Crystal Surface on Hydrogenation of Monolayer h-BN and Its Conversion to Graphene
2020-03DFTB+, a software package for efficient approximate density functional theory based atomistic simulationsHourahine, B.; Aradi, B.; Blum, V., et alARTICLE113 DFTB+, a software package for efficient approximate density functional theory based atomistic simulations
2019-08Tailorable Degradation of pH-Responsive All-Polyether Micelles: Unveiling the Role of Monomer Structure and Hydrophilic-Hydrophobic BalanceHwang, Eunbyul; Kim, Kicheol; Lee, Chae Gyu, et alARTICLE385 Tailorable Degradation of pH-Responsive All-Polyether Micelles: Unveiling the Role of Monomer Structure and Hydrophilic-Hydrophobic Balance
2019-06Non-adiabatic dynamics of ring opening in cyclohexa-1,3-diene described by an ensemble density-functional theory methodFilatov, Michael; Min, Seung Kyu; Kim, Kwang S.ARTICLE646 Non-adiabatic dynamics of ring opening in cyclohexa-1,3-diene described by an ensemble density-functional theory method
2019-05Metal-organic framework based on hinged cube tessellation as transformable mechanical metamaterialJin, Eunji; Lee, In Seong; Kim, Dongwook, et alARTICLE477 Metal-organic framework based on hinged cube tessellation as transformable mechanical metamaterial
2019-05Design and photoisomerization dynamics of a new family of synthetic 2-stroke light driven molecular rotary motorsFilatov, Michael; Paolino, Marco; Min, Seung Kyu, et alARTICLE304 Design and photoisomerization dynamics of a new family of synthetic 2-stroke light driven molecular rotary motors
2019-05Formulation and Implementation of the Spin-Restricted Ensemble-Referenced Kohn-Sham Method in the Context of the Density Functional Tight Binding ApproachLee, In Seong; Filatov, Michael; Min, Seung KyuARTICLE351 Formulation and Implementation of the Spin-Restricted Ensemble-Referenced Kohn-Sham Method in the Context of the Density Functional Tight Binding Approach
2019-02Theoretical modelling of the dynamics of primary photoprocess of cyclopropanoneFilatov, Michael; Min, Seung Kyu; Choi, Cheol HoARTICLE302 Theoretical modelling of the dynamics of primary photoprocess of cyclopropanone
2018-09Direct Nonadiabatic Dynamics by Mixed Quantum-Classical Formalism Connected with Ensemble Density Functional Theory Method: Application to trans-Penta-2,4-dieniminium CationFilatov, Michael; Min, Seung Kyu; Kim, Kwang S.ARTICLE535 Direct Nonadiabatic Dynamics by Mixed Quantum-Classical Formalism Connected with Ensemble Density Functional Theory Method: Application to trans-Penta-2,4-dieniminium Cation
2018-09Fulgides as Light-Driven Molecular Rotary Motors: Computational Design of a Prototype CompoundFilatov, Michael; Paolino, Marco; Min, Seung Kyu, et alARTICLE550 Fulgides as Light-Driven Molecular Rotary Motors: Computational Design of a Prototype Compound
2018-03Surface Hopping Dynamics beyond Nonadiabatic Couplings for Quantum CoherenceHa, Jong-Kwon; Lee, In Seong; Min, Seung KyuARTICLE603 Surface Hopping Dynamics beyond Nonadiabatic Couplings for Quantum Coherence

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