Prediction of properties of organic ferroelectrics and piezoelectrics by first-principles calculation
ISSP Activity Report 2017…Read More
GW + BSE calculation of RIXS spectra by the all-electron mixed basis program, TOMBO
ISSP Activity Report 2021, p. 68…Read More
Development of COMPutation ARchive of Exact Diagonalization (COMPARED)
ISSP Activity Report 2021, p. 232…Read More
First-principles calculations of complex metallic alloy surfaces
ISSP Activity Report 2021, p. 137-138…Read More
Calculation of photoelectron angle distribution in the photoexcitation process on the organic molecules adsorbed surface
ISSP Activity Report 2021, p. 143-144…Read More
Extension of susceptibilities, screened exchange and spin-fluctuation integrals into ultrasoft pseudopotentials
ISSP Activity Report 2021, p. 305-306…Read More
First-principles prediction of stability and functionality of complex materials
ISSP Activity Report 2021, p. 45-46…Read More
First-principles study on complexes of impurity and dislocation in GaN p-n diodes
ISSP Activity Report 2020, p. 170…Read More
Understanding superionic conductivity in disordered systems using machine learning potential molecular dynamics and Monte Carlo sampling
ISSP Activity Report 2021, p. 51-52…Read More
First-principles study on atomic and electronic structures of graphene/SiC interfaces
ISSP Activity Report 2021, p. 64…Read More