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pro vyhledávání: '"Jae‐Hyeon Parq"'
Autor:
Sung Keun Lee, Jae‐Hyeon Parq, Yoo Soo Yi, Seoyoung Lee, Hyo‐Im Kim, Sang‐Mook Lee, Jaejun Yu
Publikováno v:
Journal of the American Ceramic Society. 105:5151-5166
Autor:
Jae-Hyeon Parq
We propose a method to calculate the Hubbard U parameter in GGA+U or the α parameter in the atomic self-interaction correction (ASIC) scheme for transition-metald orbitals by mapping the self-interaction correction (SIC) onto GGA+U, which issuitable
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::2a0d9034148261e0225b501fd837f975
https://doi.org/10.26434/chemrxiv.11972013.v1
https://doi.org/10.26434/chemrxiv.11972013.v1
Autor:
Jae-Hyeon Parq
Publikováno v:
Journal of Magnetics. 22:550-556
Publikováno v:
The Journal of Physical Chemistry C. 120:23152-23164
Elastic properties of prototypical CO2 polymorphs under compression are essential to understanding the nature of their pressure-induced structural changes. Despite the fundamental importance in physical chemistry and condensed matter physics and geop
Publikováno v:
International Journal of Computer Applications. 98:20-27
MPI-friendly density functional theory (DFT) source code was modified within hybrid parallelization including CUDA. The objective is to find out how simple conversions within the hybrid parallelization with mid-range GPUs affect DFT code not original
Publikováno v:
Journal of Chemical Physics; 2/7/2010, Vol. 132 Issue 5, p054701, 7p, 4 Diagrams, 4 Charts, 2 Graphs
Metal atoms on graphene, when ionized, can act as a point charge impurity to probe a charge response of graphene with the Dirac cone band structure. To understand the microscopic physics of the metal-atom-induced charge and spin polarization in graph
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::f9938cf43e15792b473ac21270d4555b
http://arxiv.org/abs/1009.6146
http://arxiv.org/abs/1009.6146
Using density functional calculations, we investigate the structural and magnetic properties of ultrathin Gd and Gd-carbide nanowires (NWs) encapsulated in narrow carbon nanotubes (CNTs). The equilibrium geometry of an encapsulated (2 \times 2) Gd-NW
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::d01c31c15fdc90cd80bf38c73e9bc8c0