15 citations · 33 across the 10 of their papers we have counts for
3 papers · 1 filter
Orbital-Free DFT-Assisted Machine-Learned Molecular Dynamics for Electric-Field-Driven Ionic Transport
Yusuke Nishiya, Hiroya Nakata, Yosuke Harada +1
We propose an orbital-free density functional theory (OFDFT)-assisted machine-learned molecular dynamics method in which field-independent interatomic forces are evaluated using a…
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…
Effect of nitrogen introduced at the SiC/SiO interface and SiC side on the electronic states by first-principles calculation
Keita Tachiki, Yusuke Nishiya, Jun-ichi Iwata +1
In this study, using first-principles calculations, we investigate the behavior of electrons at the SiC/SiO interface when nitrogen is introduced as a dopant within a few nm of…