DFTB+, a software package for efficient approximate density functional theory based atomistic simulations B Hourahine, B Aradi, V Blum, F Bonafe, A Buccheri, C Camacho, ...
The Journal of chemical physics 152 (12), 2020
924 2020 Fast DNA sequencing with a graphene-based nanochannel device SK Min, WY Kim, Y Cho, KS Kim
Nature nanotechnology 6 (3), 162-165, 2011
647 2011 Near-field focusing and magnification through self-assembled nanoscale spherical lenses JY Lee, BH Hong, WY Kim, SK Min, Y Kim, MV Jouravlev, R Bose, KS Kim, ...
Nature 460 (7254), 498-501, 2009
442 2009 Comprehensive energy analysis for various types of π-interaction NJ Singh, SK Min, DY Kim, KS Kim
Journal of Chemical Theory and Computation 5 (3), 515-529, 2009
297 2009 Chromium porphyrin arrays as spintronic devices WJ Cho, Y Cho, SK Min, WY Kim, KS Kim
Journal of the American Chemical Society 133 (24), 9364-9369, 2011
206 2011 Coupled-trajectory quantum-classical approach to electronic decoherence in nonadiabatic processes SK Min, F Agostini, EKU Gross
Physical review letters 115 (7), 073001, 2015
182 2015 Ab initio nonadiabatic dynamics with coupled trajectories: A rigorous approach to quantum (de) coherence SK Min, F Agostini, I Tavernelli, EKU Gross
The journal of physical chemistry letters 8 (13), 3048-3055, 2017
169 2017 Complete basis set limit of Ab initio binding energies and geometrical parameters for various typical types of complexes SK Min, EC Lee, HM Lee, DY Kim, D Kim, KS Kim
Journal of computational chemistry 29 (8), 1208-1221, 2008
161 2008 Quantum-classical nonadiabatic dynamics: Coupled-vs independent-trajectory methods F Agostini, SK Min, A Abedi, EKU Gross
Journal of chemical theory and computation 12 (5), 2127-2143, 2016
158 2016 Application of quantum chemistry to nanotechnology: electron and spin transport in molecular devices WY Kim, YC Choi, SK Min, Y Cho, KS Kim
Chemical society reviews 38 (8), 2319-2333, 2009
150 2009 Magic and antimagic protonated water clusters: Exotic structures with unusual dynamic effects NJ Singh, M Park, SK Min, SB Suh, KS Kim
Angewandte Chemie International Edition 45 (23), 3795-3800, 2006
136 2006 Is the molecular Berry phase an artifact of the Born-Oppenheimer approximation? SK Min, A Abedi, KS Kim, EKU Gross
Physical review letters 113 (26), 263004, 2014
132 2014 The exact forces on classical nuclei in non-adiabatic charge transfer F Agostini, A Abedi, Y Suzuki, SK Min, NT Maitra, EKU Gross
The Journal of chemical physics 142 (8), 2015
117 2015 Surface hopping dynamics beyond nonadiabatic couplings for quantum coherence JK Ha, IS Lee, SK Min
The journal of physical chemistry letters 9 (5), 1097-1104, 2018
108 2018 Noncovalent interactions of DNA bases with naphthalene and graphene Y Cho, SK Min, J Yun, WY Kim, A Tkatchenko, KS Kim
Journal of Chemical Theory and Computation 9 (4), 2090-2096, 2013
86 2013 Two dimensional molecular electronics spectroscopy for molecular fingerprinting, DNA sequencing, and cancerous DNA recognition AC Rajan, MR Rezapour, J Yun, Y Cho, WJ Cho, SK Min, G Lee, KS Kim
ACS nano 8 (2), 1827-1833, 2014
72 2014 Fulgides as light-driven molecular rotary motors: computational design of a prototype compound M Filatov, M Paolino, SK Min, KS Kim
The Journal of Physical Chemistry Letters 9 (17), 4995-5001, 2018
62 2018 Structure and spectral features of H+ (H2O) 7: Eigen versus Zundel forms I Shin, M Park, SK Min, EC Lee, SB Suh, KS Kim
The Journal of chemical physics 125 (23), 2006
62 2006 Magic Structures and Quantum Conductance of D Cheng, WY Kim, SK Min, T Nautiyal, KS Kim
Physical review letters 96 (9), 096104, 2006
59 2006 CO2 Capturing Mechanism in Aqueous Ammonia: NH3 -Driven Decomposition−Recombination Pathway DY Kim, HM Lee, SK Min, Y Cho, IC Hwang, K Han, JY Kim, KS Kim
The Journal of Physical Chemistry Letters 2 (7), 689-694, 2011
56 2011 