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Hyung Kim - Carnegie Mellon University. Pittsburgh, PA, US

Hyung Kim

Professor | Carnegie Mellon University


Hyung Kim's research area is theoretical and computational chemistry.


Hyung Kim's research area is theoretical and computational chemistry. By employing analytic theory and modern computational techniques, he studies molecular structure and dynamics in homogeneous (i.e., bulk solution) and heterogeneous (e.g., interface and nano-confinement) environments. His primary focus is on chemical reactions in environmentally benign green solvents, e.g., carbon capture in ionic liquids, and energy storage systems, e.g., supercapacitors. Another focus area is computational dielectric and IR spectroscopies of electrolytes, such as solutions of alkali metal ions in water and in other solvents, that have many important applications, such as rechargeable batteries.

Areas of Expertise (7)

Chemical Reactions and Spectroscopy in Solution

Computer Simulations

Theoretical and Computational Chemistry

Equilibrium and Nonequilibrium Statistical Mechanics

Green Solvents


Multi-Domain Proteins


Industry Expertise (2)

Electrical/Electronic Manufacturing


Accomplishments (1)

KIAS Scholar, School of Computational Sciences, Korea Institute for Advanced Study (professional)


Education (3)

State University of New York at Stony Brook: Ph.D., Physics 1988

Seoul National University: M.S, Physics

Seoul National University: B.S., Physics

Articles (5)

A novel amalgamation of Gd2MoB2O9: CeF3 phosphor with ZnO: BaO: B2O3 glass using microwave synthesis for scintillation material applications

Radiation Physics and Chemistry

2023 This work investigates the physical, structural, optical, photoluminescence, and X-ray luminescence properties of Gd1.5MoB2O9: 0.5CeF3 mixed 10ZnO:35BaO:55B2O3 glass with a weight ratio of 1:9. The samples were prepared by heating with microwave synthesis technique varying the time from 5 min to 10 min. The structural studies were analysed using X-ray diffraction analysis (XRD) and the oxidation of cerium atom were analysed using X-ray analysis near edge spectra (XANES). An X-ray diffraction analysis to investigate the structure of samples using by a Shimadzu XRD–6100 diffractometer.

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Influence of Gd3+ on structural and luminescence properties of new Eu3+-doped borate glass for photonics material

Radiation Physics and Chemistry

2023 The Gd2O3–La2O3–ZnO–B2O3–Eu2O3 glasses with different Gd2O3 concentration (Gd:LaZnBEu) were studied in the physical, structural, optical and luminescence properties. The density and refractive index of glass increased with addition of Gd2O3 content. The FTIR spectra demonstrated the BO3 and BO4 borate complexes as the main construction in glass those were more disturbed by Gd2O3 increasing. The BO4/BO3 and bridging/non-bridging oxygen ratio, observed from XPS, changed by following the Gd2O3 concentration whose 10 mol% owned the highest values of both ratios.

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Search for solar bosonic dark matter annual modulation with COSINE-100

Physical Review D

2023 We present results from a search for solar bosonic dark matter using the annual modulation method with the COSINE-100 experiment. The results were interpreted considering three dark sector bosons models: solar dark photons, Dine-Fischler-Srednicki-Zhitnisky (DFSZ) and Kim-Shifman-Vainshtein-Zakharov (KSVZ) solar axions, and Kaluza-Klein solar axions. No modulation signal compatible with the expected from the models was found from a dataset of 2.82 yr, using 61.3 kg of NaI (Tl) crystals.

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Spectroscopic and Chemical Properties of Ionic Liquids: Computational Study

The Chemical Record

2023 A brief account is given of highlights of our computational efforts – often in collaboration with experimental groups – to understand spectroscopic and chemical properties of ionic liquids (ILs). Molecular dynamics, including their inhomogeneous character, responsible for key spectral features observed in dielectric absorption, infra‐red (IR) and fluorescence correlation spectroscopy (FCS) measurements are elucidated. Mechanisms of chemical processes involving imidazolium‐based ILs are illustrated for CO2 capture and related reactions, transesterification of cellulose, and Au nanocluster‐catalyzed Suzuki cross‐coupling reaction with attention paid to differing roles of IL ions. A comparison with experiments is also made.

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Synchrotron, luminescence, and XPS studies of Gd3+: Dy3+: Ce3+ tri-rare-earth oxides in borate glasses

Radiation Physics and Chemistry

2023 Synchrotron studies were employed to understand the oxidation state and coordination chemistry of the Ce3+ ions which when added with Dy3+- co-doped calcium zinc gadolinium borate glasses prepared by conventional melt quenching technique. X-ray photoelectron spectroscopy was employed to understand the coordination chemistry of the prepared glass samples. Detailed analysis was investigated to understand the glass's optical properties such as density, refractive index, molar volume, field strength, inter-ionic radius, and average boron-boron distance.