사진

  • ResearcherID
  • ORCiD
  • Scopus

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.
This table browses all dspace content
Issue DateTitleAuthor(s)TypeViewAltmetrics
2020-06Effect of Pt Crystal Surface on Hydrogenation of Monolayer h-BN and Its Conversion to GrapheneKim, Minsu; Moon, Sung Wook; Kim, Gwangwoo, et alARTICLE44 Effect of Pt Crystal Surface on Hydrogenation of Monolayer h-BN and Its Conversion to Graphene
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 alARTICLE200 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.ARTICLE478 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 alARTICLE292 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 alARTICLE176 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 KyuARTICLE197 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 HoARTICLE178 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.ARTICLE351 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 alARTICLE354 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 KyuARTICLE434 Surface Hopping Dynamics beyond Nonadiabatic Couplings for Quantum Coherence
2017-07Ab Initio Nonadiabatic Dynamics with Coupled Trajectories: A Rigorous Approach to Quantum (De)CoherenceMin, Seung Kyu; Agostini, Federica; Tayernelli, Ivano, et alARTICLE382 Ab Initio Nonadiabatic Dynamics with Coupled Trajectories: A Rigorous Approach to Quantum (De)Coherence
2017-07Adsorption of Carbon Tetrahalides on Coronene and GrapheneHa, Miran; Kim, Dong Yeon; Li, Nannan, et alARTICLE703 Adsorption of Carbon Tetrahalides on Coronene and Graphene
2016-05Quantum-Classical Nonadiabatic Dynamics: Coupled- vs Independent-Trajectory MethodsAgostini, Federica; Min, Seung Kyu; Abedi, Ali, et alARTICLE536 Quantum-Classical Nonadiabatic Dynamics: Coupled- vs Independent-Trajectory Methods
2015-10Semiclassical analysis of the electron-nuclear coupling in electronic non-adiabatic processesAgostini, Federica; Min, Seung Kyu; Gross, E. K. U.ARTICLE597 Semiclassical analysis of the electron-nuclear coupling in electronic non-adiabatic processes
2015-08Coupled-Trajectory Quantum-Classical Approach to Electronic Decoherence in Nonadiabatic ProcessesMin, Seung Kyu; Agostini, Federica; Gross, Eberhard K. U.ARTICLE675 Coupled-Trajectory Quantum-Classical Approach to Electronic Decoherence in Nonadiabatic Processes
2015-02The exact forces on classical nuclei in non-adiabatic charge transferAgostini, Federica; Abedi, Ali; Suzuki, Yasumitsu, et alARTICLE542 The exact forces on classical nuclei in non-adiabatic charge transfer
2014-12Is the Molecular Berry Phase an Artifact of the Born-Oppenheimer Approximation?Min, Seung Kyu; Abedi, Ali; Kim, Kwang S., et alARTICLE764 Is the Molecular Berry Phase an Artifact of the Born-Oppenheimer Approximation?
2014-02Two dimensional molecular electronics spectroscopy for molecular fingerprinting, DNA sequencing, and cancerous dna recognitionRajan, Arunkumar Chitteth; Rezapour, Mohammad Reza; Yun, Jeonghun, et alARTICLE807 Two dimensional molecular electronics spectroscopy for molecular fingerprinting, DNA sequencing, and cancerous dna recognition
2013-04Noncovalent Interactions of DNA Bases with Naphthalene and GrapheneCho, Yeonchoo; Min, Seung Kyu; Yun, Jeonghun, et alARTICLE689 Noncovalent Interactions of DNA Bases with Naphthalene and Graphene
2011-12Efficient electron dynamics with the planewave-based real-time time-dependent density functional theory: Absorption spectra, vibronic electronic spectra, and coupled electron-nucleus dynamicsMin, Seung Kyu; Cho, Yeonchoo; Kim, Kwang S.ARTICLE652 Efficient electron dynamics with the planewave-based real-time time-dependent density functional theory: Absorption spectra, vibronic electronic spectra, and coupled electron-nucleus dynamics

MENU