Electrochemical reaction analysis using density functional calculation + implicit solvation model 6
ISSP Activity Report 2024, p. 59-60…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
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
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
Structure analysis of atomic layer alloy with Rashba effect studied by TRHEPD
ISSP Activity Report 2024, p. 358-359…続きを読む
Massively parallel variational Monte Carlo method for excitation spectra augmented by artificial neural networks
ISSP Activity Report 2024, p. 217…続きを読む
Understanding Fast Ion Conduction in Inhomogeneous Materials
ISSP Activity Report 2024, p. 358-359…続きを読む
Development of Fast Calculation Codes of Berry Phases in First-principles Calculations and its Application to Energy Conversion Materials
ISSP Activity Report 2024, p. 131…続きを読む