Development of crystal structure prediction methods using machine learning
ISSP Activity Report 2021, p. 76-77…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
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
Systematic analysis of ab initio low-energy effective Hamiltonians for Pd(dmit)2 molecular conductors
ISSP Activity Report 2020, p. 189-190…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
Mechanisms of Semiconductor Interface Formation and its Electronic Properties based on Quantum Theory
ISSP Activity Report 2020, p. 49-51…続きを読む
Electrochemical reaction analysis using density functional calculation + implicit solvation model 2
ISSP Activity Report 2020, p. 71-72…続きを読む
Development of COMPutation ARchive of Exact Diagonalization (COMPARED)
ISSP Activity Report 2021, p. 232…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
Prediction of properties of organic ferroelectrics and piezoelectrics by first-principles calculation
ISSP Activity Report 2021, p. 121-122…続きを読む