Seunghoon Lee

California Institute of Technology — United States

Physics and Astronomy · Physical Sciences

25h-index2.0kcitations95works5.82yr avg
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Research Topics

Advanced Chemical Physics Studies(39), Spectroscopy and Quantum Chemical Studies(21), Photochemistry and Electron Transfer Studies(17), Advanced NMR Techniques and Applications(7), Molecular Junctions and Nanostructures(5)

Publications95 total

Electronic-Structure Model for a Single Vacancy Defect
2025
Assessment of Grouped-Bath Configuration Interaction (GBCI) for Transition-Metal Complexes by L-edge X-Ray Spectra Calculations
2025
Cooperative Organosulfur/Photoredox Catalysis Enables Radical-Polar Crossover C(sp<sup>3</sup>)–N Coupling via Inner-Sphere Electron Shuttling
Journal of the American Chemical Society·2025· 8 cited
Tipping the ultrafast photochemical balance of cis-stilbene
Photochemical & Photobiological Sciences·2025· 2 cited
Rapid Initial-State Preparation for the Quantum Simulation of Strongly Correlated Molecules
PRX Quantum·2025· 21 citedOpen Access
<scp>MRSF</scp> ‐ <scp>TDDFT</scp> : A new tool in quantum chemistry for better understanding molecules and materials
Bulletin of the Korean Chemical Society·2025· 3 citedOpen Access
Efficient Grouped-Bath Ansatz for Spin–Flip Nonorthogonal Configuration Interaction in Transition-Metal Charge-Transfer Complexes
Journal of Chemical Theory and Computation·2025· 1 citedOpen Access
Enhancement of Spectral Resolution in a Static Modulated Fourier-Transform Spectrometer with Stepped Mirrors
Preprints.org·2025Open Access
Expanding Horizons in Quantum Chemical Studies: The Versatile Power of MRSF-TDDFT
Accounts of Chemical Research·2025· 22 citedOpen Access
Spin–flip non-orthogonal configuration interaction with grouped baths: a method for charge transfer in transition metal complexes
2024Open Access
Temperature Controlled Decay and Pendulum Dynamics of Green Fluorescent Protein (GFP) Chromophore
The Journal of Physical Chemistry Letters·2024· 6 cited
OpenQP: A Quantum Chemical Platform Featuring MRSF-TDDFT with an Emphasis on Open-Source Ecosystem
Journal of Chemical Theory and Computation·2024· 16 citedOpen Access
UMRSF-TDDFT: Unrestricted Mixed-Reference Spin-Flip-TDDFT
The Journal of Physical Chemistry A·2024· 7 cited
Chemoexcited Formation and Radiationless Decay Dynamics of Firefly Chromophore
The Journal of Physical Chemistry Letters·2024· 3 cited
OpenQP: A Quantum Chemical Platform Featuring MRSF-TDDFT with an Emphasis on Open-source Ecosystem
2024· 1 citedOpen Access
UMRSF-TDDFT: Unrestricted Mixed-Reference Spin-Flip-TDDFT
2024· 2 citedOpen Access
Toward Consistent Predictions of Core/Valence Ionization Potentials and Valence Excitation Energies by MRSF-TDDFT
Journal of Chemical Theory and Computation·2024· 10 citedOpen Access
Toward Consistent Predictions of Core/Valence Ionization Potentials and Valence Excitation Energies by MRSF-TDDFT
2024· 2 citedOpen Access
<scp>Block2</scp>: A comprehensive open source framework to develop and apply state-of-the-art DMRG algorithms in electronic structure and beyond
The Journal of Chemical Physics·2023· 91 citedOpen Access
Multireference Protonation Energetics of a Dimeric Model of Nitrogenase Iron–Sulfur Clusters
The Journal of Physical Chemistry A·2023· 7 citedOpen Access
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Frequent Co-authors

Cheol Ho Choi(36), Michael Filatov(21), Woojin Park(16), Garnet Kin‐Lic Chan(7), Hiroya Nakata(7), Miquel Huix‐Rotllant(7), Konstantin Komarov(6), Huanchen Zhai(5), Sangyoub Lee(4), Yevhen Horbatenko(4), Tao Zeng(4), Zhi‐Hao Cui(3), Jun Shen(3), Piotr Piecuch(3), Saima Sadiq(3), Minseok Oh(3), Yu Tong(2), Ryan Babbush(2), Lin Lin(2), Svetlana Shostak(2)