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민승규
Min, Seung Kyu

민승규

화학과

  • Theoretical/Computational Chemistry Group for Excited State Phenomena
  • Website
Research Interests
Excited state dynamics;photosynthesis;solarcell;Light-driven molecular machine;들뜬 상태 동역학;광합성;태양전지;광유도 분자 기계 소자
Lab Description
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.
Researcher ID Research Gate ORCiD Scopus Google Scholar
Previous
Orbital-Based Correlated Electron-Nuclear Dynamics for Extended Systems with Exact Factorization File

Han, Daeho , Lee, Jae Hyeok , Min, Seung Kyu

Article Issue Date2025-11 View39
Roadmap for Molecular Benchmarks in Nonadiabatic Dynamics File File

Cigrang, Léon L.E. , Curchod, Basile F.E. , Ingle, R. A. , Kelly, Aaron , Mannouch, Jonathan R. , Accomasso, Davide , Alijah, Alexander , Barbatti, Mario , Chebbi, Wiem , Došlić, Nadja , et al

Article Issue Date2025-08 View2
Rapid and precise synthesis of acrylic polymers driven by visible light File

Yu, Changhoon , Ha, Jong-Kwon , Park, Mincheol , Lee, Jungwook , Choi, Jinho , Park, Boyoung Y. , Boyer, Cyrille , Min, Seung Kyu , Kwon, Min Sang

Article Issue Date2025-07 View78
Highly Selective Adsorption of Para-Xylene, Ethylbenzene, and Explicit Exclusion of Ortho-Xylene from Xylene Isomers Using a Pillar-Layered MOF with Tuned Pore Channels File File

Lee, Seonghwan , Sharma, Amitosh , Lee, Jae Hyeok , Lim, Jaewoong , Min, Seung Kyu , Chun, Hyungphil , Lah, Myoung Soo

Article Issue Date2025-07 View107
Recent Developments in DFTB plus , a Software Package for Efficient Atomistic Quantum Mechanical Simulations File

Hourahine, B. , Berdakin, M. , Bich, J. A. , Bonafe, F. P. , Camacho, C. , Cui, Q. , Deshaye, M. Y. , Diaz Miron, G. , Ehlert, S. , Elstner, M. , et al

Article Issue Date2025-06 View74
Progress toward a formulation of density-functional theory for matrix representations File

Filatov(Gulak), Michael , Min, Seung Kyu

Article Issue Date2025-06 View58
Dynamics of a light-driven molecular rotary motor in an optical cavity File

Lee, In Seong , Filatov, Michael , Min, Seung Kyu

Article Issue Date2025-05 View92
Implications of the edge states for the band structure of armchair graphene nanoribbons File

Filatov, Michael , Pomogaeva, Anna , Min, Seung Kyu

Article Issue Date2025-04 View128
Achieving Precise Control Over the Molecular Periphery of Dibenzoixenes Through Modular Synthesis File

Shin, Seongrok , Kim, Hwon , Ha, Jee Ho , Eun, Kyung Yeon , Kim, Jiyeon , Kim, Yeram , Choe, Wonyoung , Kang, Seok Ju , Min, Seung Kyu , Bielawski, Christopher W. , et al

Article Issue Date2025-03 View189
An efficient reverse intersystem crossing process exploiting non-bonding states in an inverted singlet-triplet gap system File File

Kim, Hwon , Min, Seung Kyu

Article Issue Date2025-03 View13
Machine Learning Nonadiabatic Dynamics: Eliminating Phase Freedom of Nonadiabatic Couplings with the State-Interaction State-Averaged Spin-Restricted Ensemble-Referenced Kohn-Sham Approach File

Moon, Sung Wook , Willow, Soohaeng Yoo , Park, Tae Hyeon , Min, Seung Kyu , Myung, Chang Woo

Article Issue Date2025-02 View72
Hidden route of protein damage through oxygen-confined photooxidation File

Kim, Seoyoon , Kim, Eojin , Park, Mingyu , Kim, Seong Ho , Kim, Byung-Gyu , Na, Seungjin , Sadongo, Victor W. , Bhashini Wijesinghe, W. C. , Eom, Yu-Gon , Yoon, Gwangsu , et al

Article Issue Date2024-12 View138
Sparse Gaussian process based machine learning first principles potentials for materials simulations: Application to batteries, solar cells, catalysts, and macromolecular systems File

Yoo, Soohaeng , Hajibabaei, Amir , Ha, Miran , Yang, David ChangMo , Myung, Chang Woo , Min, Seung Kyu , Lee, Geunsik , Kim, Kwang S.

Article Issue Date2024-12 View153
Pressure enabled organic reactions via confinement between layers of 2D materials File File

Yoon, Seong In , Park, Hyoju , Lee, Yeonju , Guo, Changding , Kim, Yu Jin , Lee, Joo Song , Son, Seungwoo , Choe, Myeonggi , Han, Daeho , Kwon, Kidal , et al

Article Issue Date2024-11 View418
Zeolitic Imidazolate Frameworks as Solid-State Nanomachines File

Nam, Joohan , Kim, Seokjin , Jin, Eunji , Lee, Soochan , Cho, Hye Jin , Min, Seung Kyu , Choe, Wonyoung

Article Issue Date2024-07 View212
Impact of solvation on the photoisomerisation dynamics of a photon-only rotary molecular motor File File

Filatov(Gulak), Michael , Paolino, Marco , Kaliakin, Danil , Olivucci, Massimo , Kraka, Elfi , Min, Seung Kyu

Article Issue Date2024-07 View119
Formulation of transition dipole gradients for non-adiabatic dynamics with polaritonic states File

Lee, In Seong , Filatov, Michael , Min, Seung Kyu

Article Issue Date2024-04 View231
Unveiling Energy Transfer Mechanisms in Nanographene-Incorporated Metal-Organic Frameworks File

Lee, Junghye , Hwang, Eunhye , Kim, Tae In , Jin, Eunji , Cho, Eunchan , Park, Young S. , Min, Seung Kyu , Kwon, Tae-Hyuk , Choe, Wonyoung

Article Issue Date2024-04 View179
Gaussian Process Regression-Based Near-Infrared d-Luciferin Analogue Design Using Mutation-Controlled Graph-Based Genetic Algorithm File

Moon, Sung Wook , Min, Seung Kyu

Article Issue Date2024-03 View117
Extension of molecules with an inverted singlet-triplet gap with conjugated branches to alter the oscillator strength File

Kim, Hwon , Scholes, Gregory D. , Min, Seung Kyu

Article Issue Date2024-02 View101
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