First-principles Theoretical Study of Chemical Reactions in Heterogeneous Catalysts
ISSP Activity Report 2019, p. 95-96…続きを読む
First-principles calculation of thermophysical properties of solids with strong phonon anharmonicity
ISSP Activity Report 2019, p. 15-24…続きを読む
Systematics of Curie temperature in rare earth permanent magnet materials
ISSP Activity Report 2019, p. 147…続きを読む
First-principles study of molecule/metal interfaces
ISSP Activity Report 2020, p. 122…続きを読む
First-principles study on atomic and electronic structures of graphene/SiC interfaces
ISSP Activity Report 2021, p. 64…続きを読む
Variational Monte Carlo calculation of two-dimensional Wigner crystal under lattice commensurability
ISSP Activity Report 2019, p. 210…続きを読む
Noisy simulations of first-principles calculations using quantum classical hybrid algorithms
ISSP Activity Report 2020, p. 147-148…続きを読む
first-principles calculation of exchange coupling constants and investigation of interface magnetism for various phases and their interfaces of permanent magnets
ISSP Activity Report 2019, p. 115-116…続きを読む
First-principles study on the stability of magnetic alloys
ISSP Activity Report 2019, p. 105…続きを読む
Study on structural elementary excitations at semiconductor surfaces and interfaces
ISSP Activity Report 2020, p. 166…続きを読む