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Showing results 1 to 8 of 8

1
Assessment and prediction of band edge locations of nitrides using a self-consistent hybrid functional

Kim, Se-Jun; Lebegue, Sebastien; Kim, Hyungjun; Kim, Won June, JOURNAL OF CHEMICAL PHYSICS, v.155, no.2, 2021-07

2
Cluster Expansion Method for Simulating Realistic Size of Nanoparticle Catalysts with an Application in CO2 Electroreduction

Eom, Taedaehyeong; Kim, Won June; Lim, Hyung-Kyu; Han, Myung Hoon; Han, Kyeong Hwan; Lee, Eok-Kyun; Lebegue, Sebastien; et al, JOURNAL OF PHYSICAL CHEMISTRY C, v.122, no.16, pp.9245 - 9254, 2018-04

3
Electronic interaction between transition metal single-atoms and anatase TiO2 boosts CO2 photoreduction with H2O

Lee, Byoung-Hoon; Gong, Eunhee; Kim, Minho; Park, Sunghak; Kim, Hye Rim; Lee, Junho; Jung, Euiyeon; et al, ENERGY & ENVIRONMENTAL SCIENCE, v.15, no.2, pp.601 - 609, 2022-02

4
Failure of Density Functional Dispersion Correction in Metallic Systems and Its Possible Solution Using a Modified Many-Body Dispersion Correction

Kim, Won June; Kim, Minho; Lee, Eok-Kyun; Lebegue, Sebastien; Kim, Hyungjun, JOURNAL OF PHYSICAL CHEMISTRY LETTERS, v.7, no.16, pp.3278 - 3283, 2016-08

5
GW Quasiparticle Energies and Bandgaps of Two-Dimensional Materials Immersed in Water

Kim, Se-Jun; Lebegue, Sebastien; Ringe, Stefan; Kim, Hyungjun, JOURNAL OF PHYSICAL CHEMISTRY LETTERS, v.13, no.32, pp.7574 - 7582, 2022-08

6
Recent development of atom-pairwise van der waals corrections for density functional theory: From molecules to solids

Kim, Minho; Kim, Won-June; Lee, Eok Kyun; Lebegue, Sebastien; Kim, Hyungjun, INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, v.116, no.8, pp.598 - 607, 2016-04

7
Theoretical study of the microscopic origin of magnetocrystalline anisotropy in Fe16N2 and its alloys: comparison with the other L1(0) alloys

Han, Myung Hoon; Kim, Won June; Lee, Eok Kyun; Kim, Hyungjun; Lebegue, Sebastien; Kozak, John J., JOURNAL OF PHYSICS-CONDENSED MATTER, v.32, no.3, 2020-01

8
uMBD: A Materials-Ready Dispersion Correction That Uniformly Treats Metallic, Ionic, and van der Waals Bonding

Kim, Minho; Kim, Won June; Gould, Timothy; Lee, Eok Kyun; Lebegue, Sebastien; Kim, Hyungjun, JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, v.142, no.5, pp.2346 - 2354, 2020-02

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