2022-02 | Coupled- and Independent-Trajectory Approaches Based on the Exact Factorization Using the PyUNIxMD Package | Kim, Tae In; Ha, Jong-Kwon; Min, Seung Kyu | ARTICLE | 84 |
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2022-02 | Spatial distribution modulation of mixed building blocks in metal-organic frameworks | Jeong, Seok; Seong, Junmo; Moon, Sung Wook, et al | ARTICLE | 91 |
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2022-01 | Electrochemical Formation of a Covalent-Ionic Stage-1 Graphite Intercalation Compound with Trifluoroacetic Acid | Gurzeda, Bartosz; Kim, Tae In; Arsakay, Madi, et al | ARTICLE | 71 |
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2022-01 | Proton affinity and gas phase basicity of diamandoid molecules: diamantane to C131H116 | Camacho-Mojica, Dulce C.; Ha, Jong-Kwon; Min, Seung Kyu, et al | ARTICLE | 27 |
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2021-09 | PyUNIxMD: A Python-based excited state molecular dynamics package | Lee, In Seong; Ha, Jong-Kwon; Han, Daeho, et al | ARTICLE | 111 |
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2021-07 | Study of the Decoherence Correction Derived from the Exact Factorization Approach for Nonadiabatic Dynamics | Vindel-Zandbergen, Patricia; Ibele, Lea M.; Ha, Jong-Kwon, et al | ARTICLE | 119 |
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2021-05 | pH-Responsive Amphiphilic Polyether Micelles with Superior Stability for Smart Drug Delivery | Son, Iloh; Lee, Yujin; Baek, Jinsu, et al | ARTICLE | 71 |
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2021-02 | Machine Learning-Assisted Excited State Molecular Dynamics with the State-Interaction State-Averaged Spin-Restricted Ensemble-Referenced Kohn-Sham Approach | Ha, Jong-Kwon; Kim, Kicheol; Min, Seung Kyu | ARTICLE | 211 |
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2020-08 | Self‐Assembly of Mitochondria‐Targeted Photosensitizer to Increase Photostability and Photodynamic Therapeutic Efficacy in Hypoxia | Jana, Batakrishna; Thomas, Ajesh P.; Kim, Sangpil, et al | ARTICLE | 208 |
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2020-06 | Effect of Pt Crystal Surface on Hydrogenation of Monolayer h-BN and Its Conversion to Graphene | Kim, Minsu; Moon, Sung Wook; Kim, Gwangwoo, et al | ARTICLE | 286 |
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2020-03 | DFTB+, a software package for efficient approximate density functional theory based atomistic simulations | Hourahine, B.; Aradi, B.; Blum, V., et al | ARTICLE | 113 |
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2019-08 | Tailorable Degradation of pH-Responsive All-Polyether Micelles: Unveiling the Role of Monomer Structure and Hydrophilic-Hydrophobic Balance | Hwang, Eunbyul; Kim, Kicheol; Lee, Chae Gyu, et al | ARTICLE | 385 |
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2019-06 | Non-adiabatic dynamics of ring opening in cyclohexa-1,3-diene described by an ensemble density-functional theory method | Filatov, Michael; Min, Seung Kyu; Kim, Kwang S. | ARTICLE | 646 |
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2019-05 | Metal-organic framework based on hinged cube tessellation as transformable mechanical metamaterial | Jin, Eunji; Lee, In Seong; Kim, Dongwook, et al | ARTICLE | 477 |
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2019-05 | Design and photoisomerization dynamics of a new family of synthetic 2-stroke light driven molecular rotary motors | Filatov, Michael; Paolino, Marco; Min, Seung Kyu, et al | ARTICLE | 304 |
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2019-05 | Formulation and Implementation of the Spin-Restricted Ensemble-Referenced Kohn-Sham Method in the Context of the Density Functional Tight Binding Approach | Lee, In Seong; Filatov, Michael; Min, Seung Kyu | ARTICLE | 351 |
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2019-02 | Theoretical modelling of the dynamics of primary photoprocess of cyclopropanone | Filatov, Michael; Min, Seung Kyu; Choi, Cheol Ho | ARTICLE | 302 |
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2018-09 | Direct Nonadiabatic Dynamics by Mixed Quantum-Classical Formalism Connected with Ensemble Density Functional Theory Method: Application to trans-Penta-2,4-dieniminium Cation | Filatov, Michael; Min, Seung Kyu; Kim, Kwang S. | ARTICLE | 535 |
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2018-09 | Fulgides as Light-Driven Molecular Rotary Motors: Computational Design of a Prototype Compound | Filatov, Michael; Paolino, Marco; Min, Seung Kyu, et al | ARTICLE | 550 |
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2018-03 | Surface Hopping Dynamics beyond Nonadiabatic Couplings for Quantum Coherence | Ha, Jong-Kwon; Lee, In Seong; Min, Seung Kyu | ARTICLE | 603 |
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