Theoretical Study for Mixed-sequence Oligomer Salt Modeling Doped PEDOT Family
ISSP Activity Report 2023, p. 237…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
Electrochemical reaction analysis using density functional calculation + implicit solvation model 6
ISSP Activity Report 2024, p. 59-60…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
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
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
Structural analysis of metal oxide quasicrystal thin films
ISSP Activity Report 2024, p. 172…続きを読む
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
Non-perturbative calculation of exchange coupling tensor
ISSP Activity Report 2024, p. 104…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