My Publications
Peer Reviewed Papers (23 in total) ______________________________________
P. Roseiro, A. Shah, S. Yalouz, V. Robert (2024). Interplay Between Spinmerism and Spin‐Orbit Coupling for a d2 Metal Ion in an Open‐Shell Ligand Field. ChemPhysChem, e202400914.
O. Bindech, B. Valentin, S. Yalouz*, V. Robert* (2024). Combining Effective Hamiltonians and Brillouin-Wigner Approach: A Perturbative Approach to Spectroscopy, Electronic Structure 6 045009
F. Cernatic, E. Fromager, S. Yalouz (2024) Fragment quantum embedding using the Householder transformation: A multi-state extension based on ensembles Journal of Chemical Physics 161, 124107
V. Pouthier, L. Pepe, S. Yalouz* (2024). Continuous-Time Quantum Walk in Glued Trees: Localized State-Mediated Almost Perfect Quantum-State Transfer Entropy, 26(6), 490
L. Delafosse, A. Hussein, S. Yalouz, V. Robert (2024). A Two-Step Rayleigh-Schrödinger Brillouin-Wigner Approach to Transition Energies Electronic Structure 6 015009.
L. Pepe, V. Pouthier, S. Yalouz* (2024) Optimized excitonic transport mediated by local energy defects: survival of optimization laws in the presence of dephasing, Physical Review E 109 (1), 014303
P. Roseiro, S. Yalouz*, D. J. Brook, N. Ben Amor, V. Robert. (2023) Modifications of Tanabe-Sugano d6 Diagram Induced by Radical Ligand Field: Ab Initio Inspection of a Fe(II)-Verdazyl Molecular Complex Inorganic Chemistry 62 (14), 5737-5743
S. Yalouz*, V. Robert (2023). Orthogonally Constrained Orbital Optimization: assessing changes of optimal orbitals for orthogonal multi-reference states. Journal of Chemical Theory and Computation 19 (5), 1388-1392
B. Senjean, S. Yalouz*, M. Saubanère. (2023). Toward Density Functional Theory on Quantum Computers ? SciPost Physics 14 055
S. Yalouz*, M. R. Gullin, S. Sekaran (2022). QuantNBody: a Python package for quantum chemistry and physics to build and manipulate many-body operators and wave functions. Journal of Open Source Software, 7(80), 4759
S. Yalouz*, V. Pouthier (2022). The extended star graph as a light-harvesting-complex prototype: excitonic absorption speedup by peripheral energy defect tuning. Physical Review E 106, 064313
S. Yalouz*, S. Sekaran, E. Fromager, M. Saubanère (2022). Quantum embedding of multi-orbital fragments using the Block-Householder-transformation. Journal of Chemical Physics 157, 214112
P. Roseiro, L. Petit, V. Robert, S. Yalouz* (2022). Emergence of spinmerism for molecular spin-qubit generation. ChemPhysChem 2023, 24, e202200478
B. Senjean, S. Yalouz, N. Nakatani, E. Fromager (2022). Reduced density matrix functional theory form an ab initio seniority zero wave function: exact and approximate formulation along adiabatic connexion paths. Physical Review A, 106, 032203.
S. Yalouz*, E. Koridon, B. Senjean, B. Lasorne, F. Buda, L. Visscher (2022). Analytical nonadiabatic couplings and gradients within the state-averaged orbital-optimized variational quantum eigensolver. Journal of Chemical Theory and Computation 18 (2), 776-794.
S. Yalouz*, B. Senjean, F. Miatto, V. Dunjko (2021). Encoding strongly-correlated many-boson wave functions on a photonic quantum computer: application to the attractive Bose-Hubbard model. Quantum, 5, 572.
E. Koridon, S. Yalouz*, B. Senjean, F. Buda, T.E. O'Brien, L. Visscher (2021). Orbital transformations to reduce the 1-norm of the electronic structure Hamiltonian for quantum computing applications. Physical Review Research, 3(3), 033127.
S. Yalouz*, B. Senjean, J. Günther, F. Buda, T.E. O’Brien, L. Visscher (2021). A state-averaged orbital-optimized hybrid quantum–classical algorithm for a democratic description of ground and excited states. Quantum Science and Technology, 6(2), 024004.
S. Yalouz, V. Pouthier (2020). Continuous-time quantum walk on an extended star graph: Disorder-enhanced trapping process. Physical Review E, 101(1), 012310.
S. Yalouz, V. Pouthier (2018). Continuous-time quantum walk on an extended star graph: Trapping and superradiance transition. Physical Review E, 97(2), 022304.
S. Yalouz, V. Pouthier, C. Falvo (2017). Exciton-phonon dynamics on complex networks: Comparison between a perturbative approach and exact calculations. Physical Review E, 96(2), 022304.
S. Yalouz, C. Falvo, V. Pouthier (2017). The excitonic qubit coupled with a phonon bath on a star graph: anomalous decoherence and coherence revivals. Quantum Information Processing, 16(6), 1-22.
S. Yalouz, V. Pouthier (2016). Exciton-phonon system on a star graph: A perturbative approach. Physical Review E, 93(5), 052306.
Covers of Journals ______________________________________
Our work on spinmerism has been put in the spotlight with a cover for the ChemPhysChem journal.
