Molecular Dynamics of Stretched Polymer Chains
ISSP Activity Report 2023, p. 347…Read More
Phonon effects in phase equilibria
ISSP Activity Report 2023, p. 64…Read More
Many-body quantum simulations based on multi-scale space-time ansatz
ISSP Activity Report 2023, p. 241-242…Read More
Computational Studies of Pressure Effects on Electronic Correlations and Superconductivity in Organic Conductors
ISSP Activity Report 2024, p. 232-233…Read More
Analysis of ab initio Hamiltonians for molecular solid (TMTTF)2PF6 under pressure
ISSP Activity Report 2023, p. 217…Read More
GW + BSE photoabsorption spectra of transition metal doped TiO2 and excited-state TDGW-MD simulation of CH4 + Ni
ISSP Activity Report 2024, p. 79…Read More
Structural analysis of metal oxide quasicrystal thin films
ISSP Activity Report 2024, p. 172…Read More
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
Electrochemical reaction analysis using density functional calculation + implicit solvation model 6
ISSP Activity Report 2024, p. 59-60…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