Bruno Senjean

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Publications

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Ab initio polaritonic chemistry on diverse quantum computing platforms: Ansatz circuit design for qubit, qudit, and hybrid qubit-qumode architectures

Even Chiari , Wafa Makhlouf , Lucie Pepe , Emiel Koridon , Johanna Klein et al.

Physical Review A, 2025, 112 (5), pp.052433. ⟨10.1103/1l5j-dfh4⟩

Article dans une revue hal-05416815v1
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Variational quantum subspace construction via symmetry-preserving cost functions

Hamzat Akande , Alexandre Perrin , Bruno Senjean , Matthieu Saubanère

Physical Review A, 2025, 112 (3), pp.032623. ⟨10.1103/6hpp-zl5h⟩

Article dans une revue hal-05296296v1

Transformation-Free Generation of a Quasi-Diabatic Representation from the State-Average Orbital-Optimized Variational Quantum Eigensolver

Silvie Illésová , Martin Beseda , Saad Yalouz , Benjamin Lasorne , Bruno Senjean

Journal of Chemical Theory and Computation, 2025, 21 (11), pp.5457-5480. ⟨10.1021/acs.jctc.5c00327⟩

Article dans une revue hal-05130414v1

Ab Initio Polaritonic Chemistry on Diverse Quantum Computing Platforms: Qubit, Qudit, and Hybrid Qubit-Qumode Architectures

Even Chiari , Wafa Makhlouf , Lucie Pepe , Emiel Koridon , Johanna Klein et al.

Physical Review A, 2025, 21 (11), pp.5457-5480. ⟨10.48550/arXiv.2506.12504⟩

Article dans une revue hal-05387660v1
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Local Potential Functional Embedding Theory of Molecular Systems: Localized Orbital-Based Embedding from an Exact Density-Functional Perspective

Wafa Makhlouf , Bruno Senjean , Emmanuel Fromager

Journal of Chemical Theory and Computation, 2025, 21 (20), pp.10293-10314. ⟨10.1021/acs.jctc.5c01256⟩

Article dans une revue hal-05387670v1
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Variational minimization scheme for the one-particle reduced density matrix functional theory in the ensemble N-representability domain

Matthieu Vladaj , Quentin Marécat , Bruno Senjean , Matthieu Saubanère

The Journal of Chemical Physics, 2024, 161 (7), ⟨10.1063/5.0219898⟩

Article dans une revue hal-04672766v1
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Des ordinateurs quantiques pour simuler la nature

Bruno Senjean , Marie Morelle , Simon Baert , Sebastien Damour

Ébullition(s) : le cahier illustré de la recherche, 2024, 1, pp.14-21. ⟨10.59655/na52122995491⟩

Article dans une revue hal-04947386v1

Neutral electronic excitations and derivative discontinuities: An extended N -centered ensemble density functional theory perspective

Filip Cernatic , Pierre-François Loos , Bruno Senjean , Emmanuel Fromager

Physical Review B, 2024, 109 (23), pp.235113. ⟨10.1103/PhysRevB.109.235113⟩

Article dans une revue hal-04620817v1

State-Averaged Orbital-Optimized VQE: A quantum algorithm for the democratic description of ground and excited electronic states

Martin Beseda , Silvie Illésová , Saad Yalouz , Bruno Senjean

Journal of Open Source Software, 2024, 9 (101), pp.6036. ⟨10.21105/joss.06036⟩

Article dans une revue hal-04801248v1
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Toward Density Functional Theory on Quantum Computers ?

Bruno Senjean , Saad Yalouz , Matthieu Saubanère

SciPost Physics, 2023, 14 (3), pp.055. ⟨10.21468/SciPostPhys.14.3.055⟩

Article dans une revue hal-03796377v1
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Recursive relations and quantum eigensolver algorithms within modified Schrieffer-Wolff transformations for the Hubbard dimer

Quentin Marécat , Bruno Senjean , Matthieu Saubanère

Physical Review B, 2023, 107 (15), pp.155110. ⟨10.1103/PhysRevB.107.155110⟩

Article dans une revue hal-04101056v1
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Performance comparison of optimization methods on variational quantum algorithms

Xavier Bonet-Monroig , Hao Wang , Diederick Vermetten , Bruno Senjean , Charles Moussa et al.

Physical Review A, 2023, 107 (3), pp.032407. ⟨10.1103/PhysRevA.107.032407⟩

Article dans une revue hal-03796370v1

Reduced density matrix functional theory from an ab initio seniority-zero wave function: Exact and approximate formulations along adiabatic connection paths

Bruno Senjean , Saad Yalouz , Naoki Nakatani , Emmanuel Fromager

Physical Review A, 2022, 106 (3), pp.032203. ⟨10.1103/PhysRevA.106.032203⟩

Article dans une revue hal-03796346v1
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Characterization of Excited States in Time-Dependent Density Functional Theory Using Localized Molecular Orbitals

Souloke Sen , Bruno Senjean , Lucas Visscher

The Journal of Chemical Physics, 2022, 158 (5), ⟨10.1063/5.0137729⟩

Article dans une revue hal-04235055v1

Analytical Nonadiabatic Couplings and Gradients within the State-Averaged Orbital-Optimized Variational Quantum Eigensolver

Saad Yalouz , Emiel Koridon , Bruno Senjean , Benjamin Lasorne , Francesco Buda et al.

Journal of Chemical Theory and Computation, 2022, 18 (2), pp.776-794. ⟨10.1021/acs.jctc.1c00995⟩

Article dans une revue hal-03796328v1
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Orbital transformations to reduce the 1-norm of the electronic structure Hamiltonian for quantum computing applications

Emiel Koridon , Saad Yalouz , Bruno Senjean , Francesco Buda , Thomas O'Brien et al.

Physical Review Research, 2021, 3 (3), ⟨10.1103/PhysRevResearch.3.033127⟩

Article dans une revue hal-03365850v1

A state-averaged orbital-optimized hybrid quantum–classical algorithm for a democratic description of ground and excited states

Saad Yalouz , Bruno Senjean , Jakob Günther , Francesco Buda , Thomas O’brien et al.

Quantum Science and Technology, 2021, 6 (2), pp.024004. ⟨10.1088/2058-9565/abd334⟩

Article dans une revue hal-03365844v1

Generalization of Intrinsic Orbitals to Kramers-Paired Quaternion Spinors, Molecular Fragments, and Valence Virtual Spinors

Bruno Senjean , Souloke Sen , Michal Repisky , Gerald Knizia , Lucas Visscher

Journal of Chemical Theory and Computation, 2021, 17 (3), pp.1337-1354. ⟨10.1021/acs.jctc.0c00964⟩

Article dans une revue hal-03365838v1
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Encoding strongly-correlated many-boson wavefunctions on a photonic quantum computer: application to the attractive Bose-Hubbard model

Saad Yalouz , Bruno Senjean , Filippo Miatto , Vedran Dunjko

Quantum, 2021, 5, pp.572. ⟨10.22331/q-2021-11-08-572⟩

Article dans une revue hal-03796321v1
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The DIRAC code for relativistic molecular calculations

Trond Saue , Radovan Bast , André Severo Pereira Gomes , Hans Jørgen Aagaard Jensen , Lucas Visscher et al.

The Journal of Chemical Physics, 2020, 152, pp.204104. ⟨10.1063/5.0004844⟩

Article dans une revue hal-02481706v2

N ‐centered ensemble density‐functional theory for open systems

Bruno Senjean , Emmanuel Fromager

International Journal of Quantum Chemistry, 2020, 120 (21), ⟨10.1002/qua.26190⟩

Article dans une revue hal-03365736v1

Weight Dependence of Local Exchange-Correlation Functionals in Ensemble Density-Functional Theory: Double Excitations in Two-Electron Systems

Clotilde Marut , Bruno Senjean , Emmanuel Fromager , Pierre-François Loos

Faraday Discussions, 2020, 224, pp.402-423. ⟨10.1039/D0FD00059K⟩

Article dans une revue hal-02767530v1

OpenFermion: the electronic structure package for quantum computers

Jarrod Mcclean , Nicholas Rubin , Kevin Sung , Ian Kivlichan , Xavier Bonet-Monroig et al.

Quantum Science and Technology, 2020, 5 (3), pp.034014. ⟨10.1088/2058-9565/ab8ebc⟩

Article dans une revue hal-03796272v1

Calculating energy derivatives for quantum chemistry on a quantum computer

Thomas O’brien , Bruno Senjean , Ramiro Sagastizabal , Xavier Bonet-Monroig , Alicja Dutkiewicz et al.

npj Quantum Information, 2019, 5 (1), ⟨10.1038/s41534-019-0213-4⟩

Article dans une revue hal-03365732v1

Projected site-occupation embedding theory

Bruno Senjean

Physical Review B, 2019, 100 (3), ⟨10.1103/PhysRevB.100.035136⟩

Article dans une revue hal-03365728v1

Site-occupation embedding theory using Bethe ansatz local density approximations

Bruno Senjean , Naoki Nakatani , Masahisa Tsuchiizu , Emmanuel Fromager

Physical Review B, 2018, 97 (23), ⟨10.1103/PhysRevB.97.235105⟩

Article dans une revue hal-03365386v1

Unified formulation of fundamental and optical gap problems in density-functional theory for ensembles

Bruno Senjean , Emmanuel Fromager

Physical Review A, 2018, 98 (2), ⟨10.1103/PhysRevA.98.022513⟩

Article dans une revue hal-03365395v1

Exploring weight-dependent density-functional approximations for ensembles in the Hubbard dimer

Killian Deur , Laurent Mazouin , Bruno Senjean , Emmanuel Fromager

The European Physical Journal B: Condensed Matter and Complex Systems, 2018, 91 (7), ⟨10.1140/epjb/e2018-90124-7⟩

Article dans une revue hal-03365394v1

Multiple impurities and combined local density approximations in site-occupation embedding theory

Bruno Senjean , Naoki Nakatani , Masahisa Tsuchiizu , Emmanuel Fromager

Theoretical Chemistry Accounts: Theory, Computation, and Modeling, 2018, 137 (12), ⟨10.1007/s00214-018-2368-z⟩

Article dans une revue hal-03365725v1

Local density approximation in site-occupation embedding theory

Bruno Senjean , Masahisa Tsuchiizu , Vincent Robert , Emmanuel Fromager

Molecular Physics, 2017, 115 (1-2), pp.48-62. ⟨10.1080/00268976.2016.1182224⟩

Article dans une revue hal-03365365v1

Combining linear interpolation with extrapolation methods in range-separated ensemble density functional theory

Bruno Senjean , Erik Hedegård , Md. Mehboob Alam , Stefan Knecht , Emmanuel Fromager

Molecular Physics, 2016, 114 (7-8), pp.968-981. ⟨10.1080/00268976.2015.1119902⟩

Article dans une revue hal-03365360v1
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Linear interpolation method in ensemble Kohn-Sham and range-separated density-functional approximations for excited states

Bruno Senjean , Stefan Knecht , Hans Jørgen Aa. Jensen , Emmanuel Fromager

Physical Review A : Atomic, molecular, and optical physics [1990-2015], 2015, 92 (1), ⟨10.1103/PhysRevA.92.012518⟩

Article dans une revue hal-03365350v1

Introduction to Quantum Computation

Bruno Senjean

Master. Quantum computing for quantum chemistry, Montpellier, France. 2024, pp.116

Cours hal-04799757v1