25 citations · 71 across the 15 of their papers we have counts for
15 papers
Coordinate space representation for quantum simulation of scalar field theory
Gaetan Bardy, Matthieu Saubanere, Adrian Tanasa
Quantum computing provides a promising framework for the simulation of quantum field theories, where the computational cost depends both on the quantum algorithm employed and on th…
Orthogonal Quantum Krylov Diagonalisation
Hadi Rammal, Alexandre Perrin, Oumaya Ladhari +3
Quantum subspace-diagonalization methods, particularly Quantum Krylov Diagonalization (QKD), provide a promising route for computing low-energy spectra of quantum many-body Hamilto…
A 0.651-approximation to quantum Max Cut via Rydberg atoms
Tomás Crosta, Matthieu Saubanere, Felix Huber
Quantum Max Cut, also known as the anti-ferromagnetic Heisenberg Hamiltonian, is a QMA-complete problem which serves as a benchmark for approximation algorithms in quantum physics.…
Variational Quantum Subspace Construction via Symmetry-Preserving Cost Functions
Hamzat A. Akande, Alexandre Perrin, Bruno Senjean +1
Determining low-energy eigenstates in electronic many-body quantum systems is a key challenge in computational chemistry and condensed-matter physics. Hybrid quantum-classical appr…
Designing Strain-less Electrode Materials: Computational Analysis of Volume Variations in Li-ion and Na-ion Batteries
Maxime Maréchal, Romain Berthelot, Patrick Rozier +1
Mechanical degradation in electrode materials during successive electrochemical cycling is critical for battery lifetime and aging properties. A common strategy to mitigate electro…
Variational minimization scheme for the one-particle reduced density matrix functional theory in the ensemble N-representability domain
Matthieu Vladaj, Quentin Marécat, Bruno Senjean +1
The one-particle reduced density-matrix (1-RDM) functional theory is a promising alternative to density-functional theory (DFT) that uses the 1-RDM rather than the electronic densi…
A versatile unitary transformation framework for an optimal bath construction in density-matrix based quantum embedding approaches
Quentin Marécat, Matthieu Saubanère
The performance of embedding methods is directly tied to the quality of the bath orbitals construction. In this paper, we develop a versatile framework, enabling the investigation…
Unitary transformations within density matrix embedding approaches: A novel perspective on the self-consistent scheme for electronic structure calculation
Quentin Marécat, Benjamin Lasorne, Emmanuel Fromager +1
In this work, we introduce an original self-consistent scheme based on the one-body reduced density matrix () formalism. A significant feature of this methodology is the utiliza…
Recursive relations and quantum eigensolver algorithms within modified Schrieffer--Wolff transformations for the Hubbard dimer
Quentin Marécat, Bruno Senjean, Matthieu Saubanère
We derive recursive relations for the Schrieffer--Wolff (SW) transformation applied to the half-filled Hubbard dimer. While the standard SW transformation is set to block-diagonali…
Quantum embedding of multi-orbital fragments using the Block-Householder-transformation
Saad Yalouz, Sajanthan Sekaran, Emmanuel Fromager +1
Recently, some of the authors introduced the use of the Householder transformation as a simple and intuitive method for the embedding of local molecular fragments (see Sekaran et.…
Toward Density Functional Theory on Quantum Computers?
Bruno Senjean, Saad Yalouz, Matthieu Saubanère
Quantum Chemistry and Physics have been pinpointed as killer applications for quantum computers, and quantum algorithms have been designed to solve the Schrödinger equation with th…
Local Potential Functional Embedding Theory: A Self-Consistent Flavor of Density Functional Theory for Lattices without Density Functionals
Sajanthan Sekaran, Matthieu Saubanère, Emmanuel Fromager
The recently proposed Householder transformed density-matrix functional embedding theory (Ht-DMFET) [Sekaran et al., Phys. Rev. B 104, 035121 (2021)], which is equivalent to (but f…
Householder transformed density matrix functional embedding theory
Sajanthan Sekaran, Masahisa Tsuchiizu, Matthieu Saubanère +1
Quantum embedding based on the (one-electron reduced) density matrix is revisited by means of the unitary Householder transformation. While being exact and equivalent to (but forma…
Structure, Magnetism and First Principles Modeling of the Na0.5La0.5RuO3 Perovskite
Loi T. Nguyen, Matthieu Saubanère, Robert J. Cava
High purity polycrystalline Na0.5La0.5RuO3 was synthesized by a solid state method, and its properties were studied by magnetic susceptibility, heat capacity and resistivity measur…
Site-occupation--Green's function embedding theory: A density-functional approach to dynamical impurity solvers
Laurent Mazouin, Matthieu Saubanère, Emmanuel Fromager
A reformulation of site-occupation embedding theory (SOET) in terms of Green's functions is presented. Referred to as site-occupation--Green's function embedding theory (SOGET), th…