First-principles calculation of thermophysical properties of solids with strong phonon anharmonicity
ISSP Activity Report 2019, p. 15-24…続きを読む
Systematics of Curie temperature in rare earth permanent magnet materials
ISSP Activity Report 2019, p. 147…続きを読む
First-principles prediction of stability and functionality of complex materials
ISSP Activity Report 2021, p. 45-46…続きを読む
First-principles calculations of complex metallic alloy surfaces
ISSP Activity Report 2021, p. 137-138…続きを読む
Calculation of photoelectron angle distribution in the photoexcitation process on the organic molecules adsorbed surface
ISSP Activity Report 2021, p. 143-144…続きを読む
GW + BSE calculation of RIXS spectra by the all-electron mixed basis program, TOMBO
ISSP Activity Report 2021, p. 68…続きを読む
Extension of susceptibilities, screened exchange and spin-fluctuation integrals into ultrasoft pseudopotentials
ISSP Activity Report 2021, p. 305-306…続きを読む
First-principles study on atomic and electronic structures of graphene/SiC interfaces
ISSP Activity Report 2021, p. 64…続きを読む
Prediction of properties of organic ferroelectrics and piezoelectrics by first-principles calculation
ISSP Activity Report 2021, p. 121-122…続きを読む
Study on structural elementary excitations at semiconductor surfaces and interfaces
ISSP Activity Report 2021, p. 129…続きを読む