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Showing results 1 to 6 of 6

1
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

2
Density-functional theory studies of the calculation method for catalyst and the material’s energy barrier = 밀도범함수 이론 기반 촉매 계산 방법론 및 물질의 에너지 장벽 연구link

Han, Myung Hoon; Kim, Hyung Jun; et al, 한국과학기술원, 2019

3
Electronic Structure and Band Alignments of Various Phases of Titania Using the Self-Consistent Hybrid Density Functional and DFT plus U Methods

Kim, Won June; Han, Myung Hoon; Lebegue, Sebastian; Lee, Eok Kyun; Kim, Hyungjun, FRONTIERS IN CHEMISTRY, v.7, 2019-02

4
First-Principles Study of the alpha-beta Phase Transition of Ferroelectric Poly(vinylidene difluoride): Observation of Multiple Transition Pathways

Kim, Won June; Han, Myung Hoon; Shin, Young-Han; Kim, Hyungjun; Lee, Eok-Kyun, JOURNAL OF PHYSICAL CHEMISTRY B, v.120, no.12, pp.3240 - 3249, 2016-03

5
Nature of intrinsic uncertainties in equilibrium molecular dynamics estimation of shear viscosity for simple and complex fluids

Kim, Kang-Sahn; Han, Myung Hoon; Kim, Changho; Li, Zhen; Karniadakis, George Em; Lee, Eok Kyun, JOURNAL OF CHEMICAL PHYSICS, v.149, no.4, 2018-07

6
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

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