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List of works by Seung Kyu Min

Ab Initio Nonadiabatic Dynamics with Coupled Trajectories: A Rigorous Approach to Quantum (De)Coherence

scientific article published on 16 June 2017

Coupled- and Independent-Trajectory Approaches Based on the Exact Factorization Using the PyUNIxMD Package

scientific article published in 2022

DFTB+, a software package for efficient approximate density functional theory based atomistic simulations

scientific article published on 01 March 2020

Design and photoisomerization dynamics of a new family of synthetic 2-stroke light driven molecular rotary motors

scientific article published on 16 April 2019

Direct Nonadiabatic Dynamics by Mixed Quantum-Classical Formalism Connected with Ensemble Density Functional Theory Method: Application to trans-Penta-2,4-dieniminium Cation

scientific article published on 16 August 2018

Erratum: “DFTB+, a software package for efficient approximate density functional theory based atomistic simulations” [J. Chem. Phys. 152, 124101 (2020)]

correction of a scholarly article

Formulation and Implementation of the Spin-Restricted Ensemble-Referenced Kohn-Sham Method in the Context of the Density Functional Tight Binding Approach

scientific article published on 24 April 2019

Fulgides as Light-Driven Molecular Rotary Motors: Computational Design of a Prototype Compound

scientific article published on 21 August 2018

Generalized Formulation of the Density Functional Tight Binding-Based Restricted Ensemble Kohn–Sham Method with Onsite Correction to Long-Range Correction

scientific article published on 12 May 2022

Independent trajectory mixed quantum-classical approaches based on the exact factorization

scientific article published in 2022

Machine Learning-Assisted Excited State Molecular Dynamics with the State-Interaction State-Averaged Spin-Restricted Ensemble-Referenced Kohn–Sham Approach

scientific article published on 20 January 2021

Metal-organic framework based on hinged cube tessellation as transformable mechanical metamaterial

scientific article published on 10 May 2019

Study of the Decoherence Correction Derived from the Exact Factorization Approach for Nonadiabatic Dynamics

scientific article published on 17 June 2021

Surface Hopping Dynamics beyond Nonadiabatic Couplings for Quantum Coherence

scientific article published on 13 February 2018

Theoretical modelling of the dynamics of primary photoprocess of cyclopropanone

scientific article published on 01 January 2019

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