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Showing results 1 to 20 of 36

Issue DateTitleAuthor(s)TypeView
2017-07Ab Initio Nonadiabatic Dynamics with Coupled Trajectories: A Rigorous Approach to Quantum (De)CoherenceMin, Seung Kyu; Agostini, Federica; Tayernelli, Ivano; Gross, E. K. U.ARTICLE324
2017-07Adsorption of Carbon Tetrahalides on Coronene and GrapheneHa, 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.ARTICLE602
2009-04Application of quantum chemistry to nanotechnology: electron and spin transport in molecular devicesKim, Woo Youn; Choi, Young Cheol; Min, Seung Kyu; Cho, Yeonchoo; Kim, Kwang S.ARTICLE561
2010-09Chiral Transformation in Protonated and Deprotonated Adipic Acids through Multistep Internal Proton TransferMin, Seung Kyu; Park, Mina; Singh, N. Jiten; Lee, Han Myoung; Lee, Eun Cheol; Kim, Kwang S.; Lagutschenkov, Anita; Niedner-Schatteburg, GereonARTICLE537
2011-06Chromium Porphyrin Arrays As Spintronic DevicesCho, Woo Jong; Cho, Yeonchoo; Min, Seung Kyu; Kim, Woo Youn; Kim, Kwang S.ARTICLE548
2011-04CO2 Capturing Mechanism in Aqueous Ammonia: NH3-Driven Decomposition-Recombination PathwayKim, Dong Young; Lee, Han Myoung; Min, Seung Kyu; Cho, Yeonchoo; Hwang, In-Chul; Han, Kunwoo; Kim, Je Young; Kim, Kwang S.ARTICLE621
2010-06Comparison of cationic, anionic and neutral hydrogen bonded dimersLee, Han Myoung; Kumar, Anupriya; Kolaski, Maciej; Kim, Dong Young; Lee, Eun Cheol; Min, Seung Kyu; Park, Mina; Choi, Young Cheol; Kim, Kwang S.ARTICLE548
2008-06Complete basis set limit of ab initio binding energies and geometrical parameters for various typical types of complexesMin, Seung Kyu; Lee, Eun Cheol; Lee, Han Myoung; Kim, Dong Young; Kim, Dongwook; Kim, Kwang S.ARTICLE606
2009-03Comprehensive Energy Analysis for Various Types of pi-InteractionSingh, N. Jiten; Min, Seung Kyu; Kim, Dong Young; Kim, Kwang S.ARTICLE574
2015-08Coupled-Trajectory Quantum-Classical Approach to Electronic Decoherence in Nonadiabatic ProcessesMin, Seung Kyu; Agostini, Federica; Gross, Eberhard K. U.ARTICLE601
2019-05Design and photoisomerization dynamics of a new family of synthetic 2-stroke light driven molecular rotary motorsFilatov, Michael; Paolino, Marco; Min, Seung Kyu; Choi, Cheol HoARTICLE123
2018-09Direct Nonadiabatic Dynamics by Mixed Quantum-Classical Formalism Connected with Ensemble Density Functional Theory Method: Application to trans-Penta-2,4-dieniminium CationFilatov, Michael; Min, Seung Kyu; Kim, Kwang S.ARTICLE283
2006-03Dissolution nature of cesium fluoride by water moleculesSingh, Nongmaithem Jiten; Yi, Hai-Bo; Min, Seung Kyu; Park, Mina; Kim, Kwang S.ARTICLE548
2011-12Efficient electron dynamics with the planewave-based real-time time-dependent density functional theory: Absorption spectra, vibronic electronic spectra, and coupled electron-nucleus dynamicsMin, Seung Kyu; Cho, Yeonchoo; Kim, Kwang S.ARTICLE598
2011-03Fast DNA sequencing with a graphene-based nanochannel deviceMin, Seung Kyu; Kim, Woo Youn; Cho, Yeonchoo; Kim, Kwang S.ARTICLE505
2019-05Formulation and Implementation of the Spin-Restricted Ensemble-Referenced Kohn-Sham Method in the Context of the Density Functional Tight Binding ApproachLee, In Seong; Filatov, Michael; Min, Seung KyuARTICLE152
2018-09Fulgides as Light-Driven Molecular Rotary Motors: Computational Design of a Prototype CompoundFilatov, Michael; Paolino, Marco; Min, Seung Kyu; Kim, Kwang S.ARTICLE284
2005-02Hydrated copper and gold monovalent cations: Ab initio studyLee, Han Myoung; Min, Seung Kyu; Lee, Eun Cheol; Min, Jung-Hyun; Odde, Srinivas; Kim, Kwang S.ARTICLE531
2014-12Is the Molecular Berry Phase an Artifact of the Born-Oppenheimer Approximation?Min, Seung Kyu; Abedi, Ali; Kim, Kwang S.; Gross, E. K. U.ARTICLE701
2019-08MACHINE LEARNING - BASED EXCITED STATE MOLECULAR DYNAMICSMin, Seung Kyu; Kim, KicheolMaster's thesis129
Showing results 1 to 20 of 36