activity
20102020
most citedElucidation of the atomic-scale mechanism of the anisotropic oxidation rate of 4H-SiC between the () Si-face and () C-face by using a new Si-O-C interatomic potential

29 citations · 76 across the 9 of their papers we have counts for

collaborators
Showing 2012Show all

2 papers · 1 filter

cond-mat.mtrl-sci2012

Electronic Structures of Oxygen-deficient Ta2O5

Yong Yang, Ho-Hyun Nahm, Osamu Sugino +1

We provide a first-principles description of the crystalline and oxygen-deficient Ta2O5 using refined computational methods and models. By performing calculations on a number of ca…

cond-mat.mtrl-sci2012★ 8 cited

Ten-million-atom electronic structure calculations on the K computer with a massively parallel order-N theory

Takeo Hoshi, Yohei Akiyama, Tatsunori Tanaka +1

A massively parallel order-N electronic structure theory was constructed by an interdisciplinary research between physics, applied mathematics and computer science. (1) A high para…