19 citations · 22 across the 5 of their papers we have counts for
7 papers · 1 filter
Machine learning supported annealing for prediction of grand canonical crystal structures
Yannick Couzinie, Yuya Seki, Yusuke Nishiya +4
This study investigates the application of Factorization Machines with Quantum Annealing (FMQA) to address the crystal structure problem (CSP) in materials science. FMQA is a black…
Wannier interpolation of one-particle Green's functions from coupled-cluster singles and doubles (CCSD)
Taichi Kosugi, Yu-ichiro Matsushita
We propose two schemes for interpolation of the one-particle Green's function (GF) calculated within coupled-cluster singles and doubles (CCSD) method for a periodic system. They u…
Band structures in coupled-cluster singles-and-doubles Green's function (GFCCSD)
Yoritaka Furukawa, Taichi Kosugi, Hirofumi Nishi +1
We demonstrate that coupled-cluster singles-and-doubles Green's function (GFCCSD) method is a powerful and prominent tool drawing the electronic band structures and the total energ…
Comparison of Green's functions for transition metal atoms using self-energy functional theory and coupled-cluster singles and doubles (CCSD)
Taichi Kosugi, Hirofumi Nishi, Yoritaka Furukawa +1
We demonstrate in the present study that self-consistent calculations based on the self-energy functional theory (SFT) are possible for the electronic structure of realistic system…
Quasiparticle energy spectra of isolated atoms from coupled-cluster singles and doubles (CCSD): Comparison with exact CI calculations
Hirofumi Nishi, Taichi Kosugi, Yoritaka Furukawa +1
In this study, we have calculated single-electron energy spectra via the Green's function based on the coupled-cluster singles and doubles (GFCCSD) method for isolated atoms from H…
Periodicity-free unfolding method of electronic energy spectra: Application to twisted bilayer graphene
Taichi Kosugi, Hirofumi Nishi, Yasuyuki Kato +1
We propose a novel periodicity-free unfolding method of the electronic energy spectra. Our new method solves a serious problem that calculated electronic band structure strongly de…