K
Kwang S. Kim
Researcher at Ulsan National Institute of Science and Technology
Publications - 671
Citations - 71259
Kwang S. Kim is an academic researcher from Ulsan National Institute of Science and Technology. The author has contributed to research in topics: Graphene & Ab initio. The author has an hindex of 97, co-authored 642 publications receiving 62053 citations. Previous affiliations of Kwang S. Kim include Asia Pacific Center for Theoretical Physics & IBM.
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On effective methods to treat solvent effects in macromolecular mechanics and simulations
TL;DR: In this paper, various methods of truncation and smoothing of the long-range force have been used with distance-dependent dielectric constants, which may cause problems of fictitious minima, energy drifting and dynamical distortions.
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Insights into the structure of cyclohexane from femtosecond degenerate four-wave mixing spectroscopy and ab initio calculations
Christoph Riehn,Victor V. Matylitsky,Wlodzimierz Jarzeba,Bernd Brutschy,Pilarisetty Tarakeshwar,Kwang S. Kim +5 more
TL;DR: The use of femtosecond time-resolved degenerate four-wave mixing rotationally resolved spectroscopy to obtain very accurate structural information on the symmetric top cyclohexane is reported, highlighting the versatility of this method in determining accurate structures of large and complex molecules without dipole moment.
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Ground state structures and excited state dynamics of pyrrole-water complexes: ab initio excited state molecular dynamics simulations.
TL;DR: Structures of the ground state pyrrole-(H2O)n clusters are investigated using ab initio calculations and the charge-transfer driven femtosecond scale dynamics are studied with excited state abinitio molecular dynamics simulations employing the complete-active-space self-consistent-field method.
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Brueckner-Goldstone quantum Monte Carlo for correlation energies and quasiparticle energy bands of one-dimensional solids
TL;DR: In this article, a quantum Monte Carlo method that combines the second-order many-body perturbation theory and Monte Carlo integration has been developed for correlation and correlation-corrected (quasiparticle) energy bands of one-dimensional solids.
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Fluorogenic sensing of CH3CO2− and H2PO4− by ditopic receptor through conformational change
Nisar Ahmed,Vangaru Suresh,Bahareh Shirinfar,Inacrist Geronimo,Amita Bist,In-Chul Hwang,Kwang S. Kim +6 more
TL;DR: The binding mechanism involves a conformational change of the two urea receptors to a trans orientation after binding of the first anion, which facilitates the second interaction.