65 citations · 151 across the 14 of their papers we have counts for
5 papers · 1 filter
Benchmark of density functional theory for superconductors in elemental materials
Mitsuaki Kawamura, Yuma Hizume, Taisuke Ozaki
Systematic benchmark calculations for elemental bulks are presented to validate the accuracy of density functional theory for superconductors. We developed a method to treat the sp…
Efficient algorithm based on Liechtenstein method for computing exchange coupling constants using localized basis set
Asako Terasawa, Munehisa Matsumoto, Taisuke Ozaki +1
For large-scale computation of the exchange coupling constants , we reconstruct the Liechtenstein formula for localized orbital representation and simplify the energy integ…
Structure map of AB type 2D materials by high-throughput DFT calculations
Masahiro Fukuda, Jingning Zhang, Yung-Ting Lee +1
By high-throughput calculations based on the density functional theory, we construct a structure map for AB type monolayers of 3844 compounds which are all the combinations of…
Hidden mechanism for embedding the flat bands of Lieb, kagome, and checkerboard lattices in other structures
Chi-Cheng Lee, Antoine Fleurence, Yukiko Yamada-Takamura +1
The interplay of hopping parameters that can give rise to flat bands in consequence of quantum interference in electronic, photonic, and other interesting materials has become an e…
OpenMX Viewer: A web-based crystalline and molecular graphical user interface program
Yung-Ting Lee, Taisuke Ozaki
The OpenMX Viewer (Open source package for Material eXplorer Viewer) is a web-based graphical user interface (GUI) program for visualization and analysis of crystalline and molecul…