Large-scale device-material research by massively parallel electronic structure calculation and data science
ISSP Activity Report 2018…続きを読む
Electronic structure of light rare earth permanent magnets
Saturation magnetic polarization of the system plotted against the lattice constant and the fictitious atomic …続きを読む
First-principles study of ionization and diffusion of metal atoms at metal/solid interfaces in electric fields: toward semiconductor and organic substrates
ISSP Activity Report 2018…続きを読む
Development of open-source software HΦ
Activity report…続きを読む
Ab initio inspection on doping effects on rare-earth permanent magnets
ISSP Activity Report 2018…続きを読む
First-principels study of anomalous thermoelectric effect on magnetic materials
ISSP Activity Report 2017…続きを読む
Development and control of spin texture by band engineering using quantum-well state
ISSP Activity Report 2018…続きを読む
Analysis on Structuring and Dynamics of Ionic Liquid Forming Electric Double Layer at Electrode Interfaces
ISSP Activity Report 2018…続きを読む
Papers using Bader Charge Analysis
W. Tang, E. Sanville, and G. Henkelman A grid-based Bader analysis algorithm without lattice bias, J. Phys.: C…続きを読む
Publications using almaBTE
http://www.almabte.eu/index.php/publications/…続きを読む