2 papers
cond-mat.dis-nn2021
Ice, glass, and solid phases in artificial spin systems with quenched disorder
Yifei Shi, Cristiano Nisoli, Gia-Wei Chern
We present a numerical study on a disordered artificial spin-ice system which interpolates between the long-range ordered square ice and the fully degenerate shakti ice. Starting f…
physics.comp-ph2018
Low-cost orbital-based linear-scaling \emph{ab initio} molecular dynamics for weakly-interacting systems
Hayden Scheiber, Yifei Shi, Rustam Z. Khaliullin
Within the framework of linear-scaling Kohn-Sham density functional theory, a robust method for maintaining compact localized orbitals close to the ground state is coupled with nuc…