86 citations · 676 across the 23 of their papers we have counts for
23 papers
Variational quantum algorithm with information sharing
Chris N. Self, Kiran E. Khosla, Alistair W. R. Smith +5
We introduce an optimisation method for variational quantum algorithms and experimentally demonstrate a 100-fold improvement in efficiency compared to naive implementations. The ef…
Experimental signature of a topological quantum dot
Marie S. Rider, Maria Sokolikova, Stephen M. Hanham +8
Topological insulators (TIs) present a neoteric class of materials, which support delocalised, conducting surface states despite an insulating bulk. Due to their intriguing electro…
First principles study of ferroelastic twins in halide perovskites
Andrew R. Warwick, Jorge Íñiguez, Peter D. Haynes +1
We present an ab initio simulation of ferroelastic twins that were recently observed in methyl ammonium lead iodide. There are two inequivalent types of w…
First-principles density-functional calculations using localized spherical-wave basis sets
Chee Kwan Gan, Peter David Haynes, M. C. Payne
We present a detailed study of the use of localized spherical-wave basis sets, first introduced in the context of linear-scaling, in first-principles density-functional calculation…
Stacking faults and the γ-surface on {1-101} pyramidal planes in α-titanium
Adam J. Ready, Adrian P. Sutton, Peter D. Haynes +1
Using first principles methods we calculated the entire γ-surface of the first order pyramidal planes in α-titanium. Slip on these planes involving dislocations with c + a dislocat…
Linear-scaling time-dependent density-functional theory (TDDFT) beyond the Tamm-Dancoff approximation: obtaining efficiency and accuracy with in situ optimised local orbitals
Tim J. Zuehlsdorff, Nicholas D. M. Hine, Mike C. Payne +1
We present a solution of the full TDDFT eigenvalue equation in the linear response formalism exhibiting a linear-scaling computational complexity with system size, without relying…