Krylov variational quantum algorithm for first principles materials simulations

F Jamet, A Agarwal, C Lupo, DE Browne… - arXiv preprint arXiv …, 2021 - arxiv.org
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 …

Dynamical mean field theory algorithm and experiment on quantum computers

I Rungger, N Fitzpatrick, H Chen, CH Alderete… - arXiv preprint arXiv …, 2019 - arxiv.org
The developments of quantum computing algorithms and experiments for atomic scale
simulations have largely focused on quantum chemistry for molecules, while their …

Dynamical Mean Field Theory for Real Materials on a Quantum Computer

J Selisko, M Amsler, C Wever, Y Kawashima… - arXiv preprint arXiv …, 2024 - arxiv.org
Quantum computers (QC) could harbor the potential to significantly advance materials
simulations, particularly at the atomistic scale involving strongly correlated fermionic systems …

Hybrid quantum-classical algorithm for computing imaginary-time correlation functions

R Sakurai, W Mizukami, H Shinaoka - Physical Review Research, 2022 - APS
Quantitative descriptions of strongly correlated materials pose a considerable challenge in
condensed matter physics and chemistry. A promising approach to address this problem is …

Variational quantum simulation of valence-bond solids

D Huerga - Quantum, 2022 - quantum-journal.org
We introduce a hybrid quantum-classical variational algorithm to simulate ground-state
phase diagrams of frustrated quantum spin models in the thermodynamic limit. The method …

Real-time Krylov theory for quantum computing algorithms

Y Shen, K Klymko, J Sud, DB Williams-Young… - Quantum, 2023 - quantum-journal.org
Quantum computers provide new avenues to access ground and excited state properties of
systems otherwise difficult to simulate on classical hardware. New approaches using …

Continuous-time quantum Monte Carlo solver for dynamical mean field theory in the compact Legendre representation

E Sheridan, C Weber, E Plekhanov, C Rhodes - Physical Review B, 2019 - APS
Dynamical mean-field theory (DMFT) is one of the most widely-used methods to treat
accurately electron correlation effects in ab-initio real material calculations. Many modern …

Low-depth quantum simulation of materials

R Babbush, N Wiebe, J McClean, J McClain, H Neven… - Physical Review X, 2018 - APS
Quantum simulation of the electronic structure problem is one of the most researched
applications of quantum computing. The majority of quantum algorithms for this problem …

Assessment of the variational quantum eigensolver: application to the Heisenberg model

MS Jattana, F Jin, H De Raedt, K Michielsen - Frontiers in Physics, 2022 - frontiersin.org
We present and analyze large-scale simulation results of a hybrid quantum-classical
variational method to calculate the ground state energy of the anti-ferromagnetic Heisenberg …

TRIQS: A toolbox for research on interacting quantum systems

O Parcollet, M Ferrero, T Ayral, H Hafermann… - Computer Physics …, 2015 - Elsevier
We present the TRIQS library, a Toolbox for Research on Interacting Quantum Systems. It is
an open-source, computational physics library providing a framework for the quick …