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
Development of COMPutation ARchive of Exact Diagonalization (COMPARED)
ISSP Activity Report 2021, p. 232…続きを読む
Development of crystal structure prediction methods using machine learning
ISSP Activity Report 2021, p. 76-77…続きを読む