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…Read More
Understanding Fast Ion Conduction in Inhomogeneous Materials
ISSP Activity Report 2024, p. 358-359…Read More
Prediction of properties of organic ferroelectrics and piezoelectrics by first-principles calculation
ISSP Activity Report 2024, p. 138…Read More
Electrochemical reaction analysis using density functional calculation + implicit solvation model 6
ISSP Activity Report 2024, p. 59-60…Read More
Non-perturbative calculation of exchange coupling tensor
ISSP Activity Report 2024, p. 104…Read More
Theoretical Simulation of Subcycle Reciprocal-Space Images of Electron Density Driven by a Strong Laser Field
ISSP Activity Report 2024, p. 153…Read More
Massively parallel variational Monte Carlo method for excitation spectra augmented by artificial neural networks
ISSP Activity Report 2024, p. 217…Read More
Modeling ultrafast electron dynamics: Case studies of elemental metals and carbon nanostructures
ISSP Activity Report 2024, p. 152…Read More
Search and realization of novel electronic properties of surfaces and interfaces and of nanostructures
ISSP Activity Report 2024, p. 200-201…Read More
Phase transformation and electric state of high entropy alloys
ISSP Activity Report 2024, p. 159…Read More