A. Oshiyama

activity

20112021

most citedComparative study of hybrid functionals applied to structural and electronic properties of semiconductors and insulators

89 citations · 678 across the 24 of their papers we have counts for

collaborators

Showing 2021Show all

2 papers · 1 filter

cond-mat.mtrl-sci2021★ 20 cited

Exploration of a new reconstructed structure on GaN(0001) surface by Bayesian optimization

Akira Kusaba, Yoshihiro Kangawa, Tetsuji Kuboyama +1

GaN(0001) surfaces with Ga- and H-adsorbates are fundamental stages for epitaxial growth of semiconductor thin films. We explore stable surface structures with nanometer scale by t…

physics.comp-ph2021★ 31 cited

Order- $N$ orbital-free density-functional calculations with machine learning of functional derivatives for semiconductors and metals

Fumihiro Imoto, Masatoshi Imada, Atsushi Oshiyama

Orbital-free density functional theory (OFDFT) offers a challenging way of electronic-structure calculations scaled as $O (N)$ computation for system size $N$ . We here dev…

Exploration of a new reconstructed structure on GaN(0001) surface by Bayesian optimization

Order-N orbital-free density-functional calculations with machine learning of functional derivatives for semiconductors and metals

Order- $N$ orbital-free density-functional calculations with machine learning of functional derivatives for semiconductors and metals