or enter first few letters:
  • Sort by:
  • In order:
  • Results/Page
  • Authors/Record:

Showing results 1 to 20 of 43

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.ARTICLE429
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.ARTICLE823
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.ARTICLE653
2019-04-19Building principles of meta-MOF (metal-organic framework)Jin, Eunhi; Kim, Dongwook; Lee, Hosoowi; Jang, Woo-Dong; Lah, Myoung Soo; Min, Seung Kyu; Choe, WonyoungCONFERENCE66
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, GereonARTICLE619
2011-06Chromium Porphyrin Arrays As Spintronic DevicesCho, Woo Jong; Cho, Yeonchoo; Min, Seung Kyu; Kim, Woo Youn; Kim, Kwang S.ARTICLE631
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.ARTICLE731
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.ARTICLE634
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.ARTICLE683
2009-03Comprehensive Energy Analysis for Various Types of pi-InteractionSingh, N. Jiten; Min, Seung Kyu; Kim, Dong Young; Kim, Kwang S.ARTICLE644
2015-08Coupled-Trajectory Quantum-Classical Approach to Electronic Decoherence in Nonadiabatic ProcessesMin, Seung Kyu; Agostini, Federica; Gross, Eberhard K. U.ARTICLE736
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 HoARTICLE207
2020-01-14Development of a novel method on excited state molecular dynamics simulations and its photochemical applicationsMin, Seung KyuCONFERENCE12
2020-03DFTB+, a software package for efficient approximate density functional theory based atomistic simulationsHourahine, 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.ARTICLE18
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.ARTICLE403
2006-03Dissolution nature of cesium fluoride by water moleculesSingh, Nongmaithem Jiten; Yi, Hai-Bo; Min, Seung Kyu; Park, Mina; Kim, Kwang S.ARTICLE655
2020-06Effect of Pt Crystal Surface on Hydrogenation of Monolayer h-BN and Its Conversion to GrapheneKim, Minsu; Moon, Sung Wook; Kim, Gwangwoo; Yoon, Seong In; Kim, Kicheol; Min, Seung Kyu; Shin, Hyeon SukARTICLE125
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.ARTICLE704
2011-03Fast DNA sequencing with a graphene-based nanochannel deviceMin, Seung Kyu; Kim, Woo Youn; Cho, Yeonchoo; Kim, Kwang S.ARTICLE613
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 KyuARTICLE234
Showing results 1 to 20 of 43