| 2017-07 | Ab Initio Nonadiabatic Dynamics with Coupled Trajectories: A Rigorous Approach to Quantum (De)Coherence | Min, Seung Kyu; Agostini, Federica; Tayernelli, Ivano; Gross, E. K. U. | ARTICLE | 429 |
| 2017-07 | Adsorption of Carbon Tetrahalides on Coronene and Graphene | Ha, Miran; Kim, Dong Yeon; Li, Nannan; Madridesjos, Jenica Marie L.; Park, In Kee; Youn, Il Seung; Lee, Joonho; Baig, Chunggi; Filatov, Michael; Min, Seung Kyu; Lee, Geunsik; Kim, Kwang S. | ARTICLE | 823 |
| 2009-04 | Application of quantum chemistry to nanotechnology: electron and spin transport in molecular devices | Kim, Woo Youn; Choi, Young Cheol; Min, Seung Kyu; Cho, Yeonchoo; Kim, Kwang S. | ARTICLE | 653 |
| 2019-04-19 | Building principles of meta-MOF (metal-organic framework) | Jin, Eunhi; Kim, Dongwook; Lee, Hosoowi; Jang, Woo-Dong; Lah, Myoung Soo; Min, Seung Kyu; Choe, Wonyoung | CONFERENCE | 66 |
| 2010-09 | Chiral Transformation in Protonated and Deprotonated Adipic Acids through Multistep Internal Proton Transfer | Min, Seung Kyu; Park, Mina; Singh, N. Jiten; Lee, Han Myoung; Lee, Eun Cheol; Kim, Kwang S.; Lagutschenkov, Anita; Niedner-Schatteburg, Gereon | ARTICLE | 619 |
| 2011-06 | Chromium Porphyrin Arrays As Spintronic Devices | Cho, Woo Jong; Cho, Yeonchoo; Min, Seung Kyu; Kim, Woo Youn; Kim, Kwang S. | ARTICLE | 631 |
| 2011-04 | CO2 Capturing Mechanism in Aqueous Ammonia: NH3-Driven Decomposition-Recombination Pathway | Kim, Dong Young; Lee, Han Myoung; Min, Seung Kyu; Cho, Yeonchoo; Hwang, In-Chul; Han, Kunwoo; Kim, Je Young; Kim, Kwang S. | ARTICLE | 731 |
| 2010-06 | Comparison of cationic, anionic and neutral hydrogen bonded dimers | Lee, Han Myoung; Kumar, Anupriya; Kolaski, Maciej; Kim, Dong Young; Lee, Eun Cheol; Min, Seung Kyu; Park, Mina; Choi, Young Cheol; Kim, Kwang S. | ARTICLE | 634 |
| 2008-06 | Complete basis set limit of ab initio binding energies and geometrical parameters for various typical types of complexes | Min, Seung Kyu; Lee, Eun Cheol; Lee, Han Myoung; Kim, Dong Young; Kim, Dongwook; Kim, Kwang S. | ARTICLE | 683 |
| 2009-03 | Comprehensive Energy Analysis for Various Types of pi-Interaction | Singh, N. Jiten; Min, Seung Kyu; Kim, Dong Young; Kim, Kwang S. | ARTICLE | 644 |
| 2015-08 | Coupled-Trajectory Quantum-Classical Approach to Electronic Decoherence in Nonadiabatic Processes | Min, Seung Kyu; Agostini, Federica; Gross, Eberhard K. U. | ARTICLE | 736 |
| 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; Choi, Cheol Ho | ARTICLE | 207 |
| 2020-01-14 | Development of a novel method on excited state molecular dynamics simulations and its photochemical applications | Min, Seung Kyu | CONFERENCE | 12 |
| 2020-03 | DFTB+, a software package for efficient approximate density functional theory based atomistic simulations | Hourahine, B.; Aradi, B.; Blum, V.; Bonafé, F.; Buccheri, A.; Camacho, C.; Cevallos, C.; Deshaye, M. Y.; Dumitrică, T.; Dominguez, A.; Ehlert, S.; Elstner, M.; van der Heide, T.; Hermann, J.; Irle, S.; Kranz, J. J.; Köhler, C.; Kowalczyk, T.; Kubař, T.; Lee, I. S.; Lutsker, V.; Maurer, R. J.; Min, Seung Kyu; Mitchell, I.; Negre, C.; Niehaus, T. A.; Niklasson, A. M. N.; Page, A. J.; Pecchia, A.; Penazzi, G.; Persson, M. P.; Řezáč, J.; Sánchez, C. G.; Sternberg, M.; Stöhr, M.; Stuckenberg, F.; Tkatchenko, A.; Yu, V. W.-z.; Frauenheim, T. | ARTICLE | 18 |
| 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 | 403 |
| 2006-03 | Dissolution nature of cesium fluoride by water molecules | Singh, Nongmaithem Jiten; Yi, Hai-Bo; Min, Seung Kyu; Park, Mina; Kim, Kwang S. | ARTICLE | 655 |
| 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; Yoon, Seong In; Kim, Kicheol; Min, Seung Kyu; Shin, Hyeon Suk | ARTICLE | 125 |
| 2011-12 | Efficient electron dynamics with the planewave-based real-time time-dependent density functional theory: Absorption spectra, vibronic electronic spectra, and coupled electron-nucleus dynamics | Min, Seung Kyu; Cho, Yeonchoo; Kim, Kwang S. | ARTICLE | 704 |
| 2011-03 | Fast DNA sequencing with a graphene-based nanochannel device | Min, Seung Kyu; Kim, Woo Youn; Cho, Yeonchoo; Kim, Kwang S. | ARTICLE | 613 |
| 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 | 234 |
