History of Quloud-RSDFT RSDFT has been developed as a core application in the field of materials science in th…Read More
Running Quantum Computer Simulators on MateriApps LIVE!
1. Introduction Various quantum computer simulators are featured on MateriApps. This review describes how to i…Read More
Psi4 test calculation (experience note)
Introduction Here, I write a review of test calculation of Psi4. Official tutorials can be found the following…Read More
Modeling the molecular structure with Avogadro
Introduction Avogadro is a versatile molecular modeling and visualization tool. Windows, MacOS, and Linux bina…Read More
First-principles prediction of stability and functionality of complex materials
ISSP Activity Report 2021, p. 45-46…Read More
First-principles calculations of complex metallic alloy surfaces
ISSP Activity Report 2021, p. 137-138…Read More
Calculation of photoelectron angle distribution in the photoexcitation process on the organic molecules adsorbed surface
ISSP Activity Report 2021, p. 143-144…Read More
GW + BSE calculation of RIXS spectra by the all-electron mixed basis program, TOMBO
ISSP Activity Report 2021, p. 68…Read More
Extension of susceptibilities, screened exchange and spin-fluctuation integrals into ultrasoft pseudopotentials
ISSP Activity Report 2021, p. 305-306…Read More
First-principles study on atomic and electronic structures of graphene/SiC interfaces
ISSP Activity Report 2021, p. 64…Read More