GW + BSE calculation of RIXS spectra by the all-electron mixed basis program, TOMBO
ISSP Activity Report 2021, p. 68…Read More
Systematic analysis of ab initio low-energy effective Hamiltonians for Pd(dmit)2 molecular conductors
ISSP Activity Report 2020, p. 189-190…Read More
First-principles study on complexes of impurity and dislocation in GaN p-n diodes
ISSP Activity Report 2020, p. 170…Read More
Noisy simulations of first-principles calculations using quantum classical hybrid algorithms
ISSP Activity Report 2020, p. 147-148…Read More
First-principles Calculation of Electric Field Effects in Spin-to-charge Conversion Materials
ISSP Activity Report 2020, p. 150…Read More
Low Thermal Conductance Generated by van Der Waals Interaction
ISSP Activity Report 2021, p. 299-300…Read More
Search and realization of novel electronic properties of solid surfaces and interfaces and of small particles
ISSP Activity Report 2020, p. 163-164…Read More
Understanding superionic conductivity in disordered systems using machine learning potential molecular dynamics and Monte Carlo sampling
ISSP Activity Report 2021, p. 51-52…Read More
Development of analysis method for molecular crystal surface using wave number space-resolved photoelectron spectroscopy
ISSP Activity Report 2020, p. 180-181…Read More
First-principles study of atomic and electronic structures of intermetallic compound catalysts
ISSP Activity Report 2020, p. 151…Read More