activity
20192026
most citedQuestaal: a package of electronic structure methods based on the linear muffin-tin orbital technique

158 citations · 260 across the 14 of their papers we have counts for

collaborators

17 papers

quant-ph2026

Screening strongly correlated materials in solid oxide cells with quantum simulation

Ouns El Harzli, Jelle Bor, Linde Wester +9

We develop an end-to-end framework for assessing a quantum-computing application in industrial materials science: the screening of strongly correlated oxygen-electrode materials fo…

quant-ph2026

Efficient Block Encoding of Structured Hamiltonians by Separating Where and What

Alessandro Summer, François Jamet

In fault-tolerant block encodings of structured Hamiltonians, the support geometry can set how the non-Clifford cost of SELECT scales with the system size, however many operators a…

quant-ph2024

Operator-Projected Variational Quantum Imaginary Time Evolution

Aeishah Ameera Anuar, Francois Jamet, Fabio Gironella +2

Variational Quantum Imaginary Time Evolution (VQITE) is a leading technique for ground state preparation on quantum computers. A significant computational challenge of VQITE is the…

quant-ph2024★ 4 cited

Quantum subspace expansion approach for simulating dynamical response functions of Kitaev spin liquids

Chukwudubem Umeano, François Jamet, Lachlan P. Lindoy +2

We develop a quantum simulation-based approach for studying properties of strongly correlated magnetic materials at increasing scale. We consider a paradigmatic example of a quantu…

quant-ph2023

Modelling non-Markovian noise in driven superconducting qubits

Abhishek Agarwal, Lachlan P. Lindoy, Deep Lall +2

Non-Markovian noise can be a significant source of errors in superconducting qubits. We develop gate sequences utilising mirrored pseudoidentities that allow us to characterise and…

quant-ph2023★ 17 cited

Combining Matrix Product States and Noisy Quantum Computers for Quantum Simulation

Baptiste Anselme Martin, Thomas Ayral, François Jamet +2

Matrix Product States (MPS) and Operators (MPO) have been proven to be a powerful tool to study quantum many-body systems but are restricted to moderately entangled states as the n…

quant-ph2023★ 7 cited

Anderson impurity solver integrating tensor network methods with quantum computing

Francois Jamet, Lachlan P. Lindoy, Yannic Rath +6

Solving the Anderson impurity model typically involves a two-step process, where one first calculates the ground state of the Hamiltonian, and then computes its dynamical propertie…

quant-ph2023

A fault-tolerant variational quantum algorithm with limited T-depth

Hasan Sayginel, Francois Jamet, Abhishek Agarwal +2

We propose a variational quantum eigensolver (VQE) algorithm that uses a fault-tolerant gate-set, and is hence suitable for implementation on a future error-corrected quantum compu…

quant-ph2022★ 9 cited

Quantum subspace expansion algorithm for Green's functions

Francois Jamet, Abhishek Agarwal, Ivan Rungger

We present an algorithm to compute Green's functions on quantum computers for interacting electron systems, which is a challenging task on conventional computers. It uses a continu…

physics.comp-ph2021★ 16 cited

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…

quant-ph2021★ 5 cited

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…

cond-mat.str-el2020★ 2 cited

Disentangling the role of bond lengths and orbital symmetries in controlling in YBaCuO

Francois Jamet, Cedric Weber, Swagata Acharya +2

Optimally doped YBCO (YBaCuO) has a high critical temperature, at 92 K. It is largely believed that Cooper pairs form in YBCO and other cuprates because of spin f…

cond-mat.str-el2020

Maximally Localized Dynamical Quantum Embedding for Solving Many-Body Correlated Systems

Carla Lupo, François Jamet, Terence Tse +2

We present a quantum embedding methodology to resolve the Anderson impurity model in the context of dynamical mean-field theory, based on an extended exact diagonalization method.…

cond-mat.supr-con2020★ 11 cited

Odd-frequency superconductivity in dilute magnetic superconductors

Flávio L. N. Santos, Vivien Perrin, François Jamet +5

We show that dilute magnetic impurities in a conventional superconductor give origin to an odd-frequency component of superconductivity, manifesting itself in Yu-Shiba-Rusinov band…

cond-mat.str-el2020★ 16 cited

Controlling T through band structure and correlation engineering in collapsed and uncollapsed phases of iron arsenides

Swagata Acharya, Dimitar Pashov, Francois Jamet +1

Recent observations of selective emergence (suppression) of superconductivity in the uncollapsed (collapsed) tetragonal phase of LaFeAs has rekindled interest in understand…

cond-mat.str-el2019★ 15 cited

Interplay between band structure and Hund's correlation to increase T in FeSe

Swagata Acharya, Dimitar Pashov, Francois Jamet +1

FeSe is classed as a Hund's metal, with a multiplicity of bands near the Fermi level. Correlations in Hund's metals mostly originate from the exchange parameter \emph{J}, which…

cond-mat.mtrl-sci2019★ 158 cited

Questaal: a package of electronic structure methods based on the linear muffin-tin orbital technique

Dimitar Pashov, Swagata Acharya, Walter R. L. Lambrecht +5

This paper summarises the theory and functionality behind Questaal, an open-source suite of codes for calculating the electronic structure and related properties of materials from…