76 citations · 224 across the 22 of their papers we have counts for
13 papers · 1 filter
Light-Induced Quantum Self-Trapping of Vibrational Excitons in an Optical Cavity
Vincent Pouthier, Saad Yalouz
In an optical cavity, strong light--matter coupling between excitons and photons has been widely reported as a way to enhance energy delocalization through spatially extended polar…
Ab Initio Polaritonic Chemistry on Diverse Quantum Computing Platforms: Qubit, Qudit, and Hybrid Qubit-Qumode Architectures
Even Chiari, Wafa Makhlouf, Lucie Pepe +5
Trying to export ab initio polaritonic chemistry onto emerging quantum computers raises fundamental questions. A central one is how to efficiently represent both fermionic and boso…
State-Averaged Orbital-Optimized VQE: A quantum algorithm for the democratic description of ground and excited electronic states
Martin Beseda, Silvie Illésová, Saad Yalouz +1
The electronic structure problem is one of the main problems in modern theoretical chemistry. While there are many already-established methods both for the problem itself and its a…
Optimized excitonic transport mediated by local energy defects: survival of optimization laws in the presence of dephasing
Lucie Pepe, Vincent Pouthier, Saad Yalouz
In an extended star with peripheral defects and a core occupied by a trap, it has been shown that exciton-mediated energy transport from the periphery to the core can be optimized…
Orthogonally Constrained Orbital Optimization: assessing changes of optimal orbitals for orthogonal multi-reference states
Saad Yalouz, Vincent Robert
The choice of molecular orbitals is decisive in configuration interaction calculations. In this letter, a democratic description of the ground and excited states follows an orthogo…
Modifications of Tanabe-Sugano d diagram induced by radical ligand field: ab initio inspection of a Fe(II)-verdazyl molecular complex
Pablo Roseiro, Saad Yalouz, David J. R. Brook +2
Quantum entanglement between the spin states of a metal centre and radical ligands is suggested in an iron(II) [Fe(dipyvd)] compound (dipyvd = 1-isopropyl-3,5-dipyridil-…
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.…
Emergence of Spinmerism for Molecular Spin-Qubits Generation
Roseiro Pablo, Petit Louis, Robert Vincent +1
Molecular platforms are regarded as promising candidates in the generation of units of information for quantum computing. Herein, a strategy combining spin-crossover metal ions and…
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…
Analytical nonadiabatic couplings and gradients within the state-averaged orbital-optimized variational quantum eigensolver
Saad Yalouz, Emiel Koridon, Bruno Senjean +3
In this work, we introduce several technical and analytical extensions to our recent state-averaged orbital-optimized variational quantum eigensolver (SA-OO-VQE) algorithm (see Ref…
Encoding strongly-correlated many-boson wavefunctions on a photonic quantum computer: application to the attractive Bose-Hubbard model
Saad Yalouz, Bruno Senjean, Filippo Miatto +1
Variational quantum algorithms (VQA) are considered as some of the most promising methods to determine the properties of complex strongly correlated quantum many-body systems, espe…
Orbital transformations to reduce the 1-norm of the electronic structure Hamiltonian for quantum computing applications
Emiel Koridon, Saad Yalouz, Bruno Senjean +3
Reducing the complexity of quantum algorithms to treat quantum chemistry problems is essential to demonstrate an eventual quantum advantage of Noisy-Intermediate Scale Quantum (NIS…
A state-averaged orbital-optimized hybrid quantum-classical algorithm for a democratic description of ground and excited states
Saad Yalouz, Bruno Senjean, Jakob Günther +3
In the Noisy Intermediate-Scale Quantum (NISQ) era, solving the electronic structure problem from chemistry is considered as the "killer application" for near-term quantum devices.…