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Quantitative infrared near-field imaging of suspended topological insulator nanostructures
C. Lupo, J. Andzane, D. Montemurro +5
The development of nanoscale solid-state devices exploiting the promising topological surface states of topological insulator materials requires careful device engineering and impr…
The Variational Quantum Eigensolver: a review of methods and best practices
Jules Tilly, Hongxiang Chen, Shuxiang Cao +8
The variational quantum eigensolver (or VQE) uses the variational principle to compute the ground state energy of a Hamiltonian, a problem that is central to quantum chemistry and…
Spin-orbit induced equilibrium spin currents in materials
Andrea Droghetti, Ivan Rungger, Angel Rubio +1
The existence of spin-currents in absence of any driving external fields is commonly considered an exotic phenomenon appearing only in quantum materials, such as topological insula…
Pressure induced electronic transitions in Samarium monochalcogenides
Debalina Banerjee, Evgeny Plekhanov, Ivan Rungger +1
Pressure induced isostructural insulator to metal transition for SmS is characterised by the presence of an intermediate valence state at higher pressure which cannot be captured b…
Data-Driven Dynamical Mean-Field Theory: an error-correction approach to solve the quantum many-body problem using machine learning
Evan Sheridan, Christopher Rhodes, Francois Jamet +2
Machine learning opens new avenues for modelling correlated materials. Quantum embedding approaches, such as the dynamical mean-field theory (DMFT), provide corrections to first-pr…
Krylov variational quantum algorithm for first principles materials simulations
Francois Jamet, Abhishek Agarwal, Carla Lupo +3
We propose an algorithm to obtain Green's functions as a continued fraction on quantum computers, which is based on the construction of the Krylov basis using variational quantum a…