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Journal of Chemical Theory and Computation|November 16, 2025
Orbital-Based Correlated Electron-Nuclear Dynamics for Extended Systems with Exact FactorizationDaeho Han, Jae Hyeok Lee, Seung Kyu MinJournal of Chemical Theory and Computation|July 28, 2018
Direct Nonadiabatic Dynamics by Mixed Quantum-Classical Formalism Connected with Ensemble Density Functional Theory Method: Application to trans-Penta-2,4-dieniminium CationMichael Filatov, Seung Kyu Min, Kwang S KimThe Journal of Chemical Physics|January 10, 2012
Efficient electron dynamics with the planewave-based real-time time-dependent density functional theory: absorption spectra, vibronic electronic spectra, and coupled electron-nucleus dynamicsSeung Kyu Min, Yeonchoo Cho, Kwang S KimThe Journal of Chemical Physics|April 16, 2024
Formulation of transition dipole gradients for non-adiabatic dynamics with polaritonic statesIn Seong Lee, Michael Filatov, Seung Kyu MinNature Communications|May 16, 2025
Dynamics of a light-driven molecular rotary motor in an optical cavityIn Seong Lee, Michael Filatov, Seung Kyu MinPhysical Chemistry Chemical Physics : PCCP|January 19, 2019
Theoretical modelling of the dynamics of primary photoprocess of cyclopropanoneMichael Filatov, Seung Kyu Min, Cheol Ho ChoiJournal of Chemical Theory and Computation|January 20, 2021
Machine Learning-Assisted Excited State Molecular Dynamics with the State-Interaction State-Averaged Spin-Restricted Ensemble-Referenced Kohn-Sham ApproachJong-Kwon Ha, Kicheol Kim, Seung Kyu MinJournal of Chemical Theory and Computation|April 11, 2019
Formulation and Implementation of the Spin-Restricted Ensemble-Referenced Kohn-Sham Method in the Context of the Density Functional Tight Binding ApproachIn Seong Lee, Michael Filatov, Seung Kyu MinThe Journal of Physical Chemistry Letters|February 15, 2018
Surface Hopping Dynamics beyond Nonadiabatic Couplings for Quantum CoherenceJong-Kwon Ha, In Seong Lee, Seung Kyu MinTopics in Current Chemistry (Cham)|January 27, 2022
Coupled- and Independent-Trajectory Approaches Based on the Exact Factorization Using the PyUNIxMD PackageTae In Kim, Jong-Kwon Ha, Seung Kyu MinPageof 7