Search and realization of novel electronic properties of surfaces and interfaces and of nanostructures
ISSP Activity Report 2024, p. 200-201…続きを読む
Photocatalytic versus Thermal Reaction Pathways of CO2 Methanation over Single Ru–Ni/ZrO2 Catalyst Proved by DFT Calculations
ISSP Activity Report 2024, p. 177-178…続きを読む
Structural analysis of metal oxide quasicrystal thin films
ISSP Activity Report 2024, p. 172…続きを読む
Non-perturbative calculation of exchange coupling tensor
ISSP Activity Report 2024, p. 104…続きを読む
Electrochemical reaction analysis using density functional calculation + implicit solvation model 6
ISSP Activity Report 2024, p. 59-60…続きを読む
GW + BSE photoabsorption spectra of transition metal doped TiO2 and excited-state TDGW-MD simulation of CH4 + Ni
ISSP Activity Report 2024, p. 79…続きを読む
Theoretical Simulation of Subcycle Reciprocal-Space Images of Electron Density Driven by a Strong Laser Field
ISSP Activity Report 2024, p. 153…続きを読む
Computational Studies of Pressure Effects on Electronic Correlations and Superconductivity in Organic Conductors
ISSP Activity Report 2024, p. 232-233…続きを読む
Prediction of properties of organic ferroelectrics and piezoelectrics by first-principles calculation
ISSP Activity Report 2024, p. 138…続きを読む
First-Principles Elucidation of Conducting Mechanisms in OligoEDOT Complexes: Towards Molecular Design Guidelines for High Conductivity
ISSP Activity Report 2024, p. 285…続きを読む