Showing results 1 to 10 of 10
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 |
Density functional study of alpha-beta phase transition of polyvinylidene difluoride Heo, Won-Joon; Kim, Won-June; Shin, Young-Han; Lee, Eok-Kyun, PHYSICA STATUS SOLIDI-RAPID RESEARCH LETTERS, v.6, no.5, pp.217 - 219, 2012-05 |
Effect of potential energy distribution on the melting of clusters Lee, Young Joo; Lee, Eok-Kyun; Kim, Sehun; Nieminen, R. M., Phys. Rev. Lett., Vol.86, No.6, pp,999-1002, 2001-02 |
Effects of nonmagnetic impurities on the spin transport property of a graphene nanoribbon device Park, Joonho; Yang, Heok; Park, K. -S.; Lee, Eok-Kyun, JOURNAL OF CHEMICAL PHYSICS, v.130, no.21, 2009-06 |
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 |
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 |
Layer-wise relevance propagation of InteractionNet explains protein-ligand interactions at the atom level Cho, Hyeoncheol; Lee, Eok-Kyun; Choi, Insung S., SCIENTIFIC REPORTS, v.10, no.1, 2020-12 |
Normal versus anomalous self-diffusion in two-dimensional fluids: Memory function approach and generalized asymptotic Einstein relation Shin, Hyun Kyung; Choi, Bongsik; Talkner, Peter; Lee, Eok-Kyun, JOURNAL OF CHEMICAL PHYSICS, v.141, no.21, 2014-12 |
Spin-polarized current of a transistor in single Mn-12 molecular magnets Park, Joon-Ho; Yang, Heok; Park, K.-S.; Lee, Eok-Kyun, JOURNAL OF NANOSCIENCE AND NANOTECHNOLOGY, v.7, no.11, pp.4111 - 4115, 2007-11 |
Tuned Chemical Bonding Ability of Au at Grain Boundaries for Enhanced Electrochemical CO2 Reduction Kim, Kang-Sahn; Kim, Won June; Lim, Hyung Kyu; Lee, Eok-Kyun; Kim, Hyungjun, ACS CATALYSIS, v.6, no.7, pp.4443 - 4448, 2016-07 |
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