Showing results 1 to 4 of 4
Benchmarking several van der Waals dispersion approaches for the description of intermolecular interactions Claudot, Julien; Kim, Won June; Dixit, Anant; Kim, Hyungjun; Gould, Tim; Rocca, Dario; Lebegue, Sebastien, JOURNAL OF CHEMICAL PHYSICS, v.148, no.6, 2018-02 |
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 |
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 |
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 |
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