Matthieu Saubanère

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matthieu-saubanere
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0000-0002-9900-6175
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Publications

	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
	Unitary transformations within density matrix embedding approaches: A perspective on the self-consistent scheme for electronic structure calculation Quentin Marécat , Benjamin Lasorne , Emmanuel Fromager , Matthieu Saubanère Physical Review B, 2023, 108 (15), pp.155119. ⟨10.1103/PhysRevB.108.155119⟩ Article dans une revue hal-04276488v1
	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
	A Versatile Unitary Transformation Framework for an Optimal Bath Construction in Density-Matrix Based Quantum Embedding Approaches Quentin Marécat , Matthieu Saubanère Computation, 2023, 11 (10), pp.203. ⟨10.3390/computation11100203⟩ Article dans une revue hal-04276481v1
	Quantum embedding of multi-orbital fragments using the block-Householder transformation Saad Yalouz , Sajanthan Sekaran , Emmanuel Fromager , Matthieu Saubanère Journal of Chemical Physics, 2022, 157 (21), pp.214112. ⟨10.1063/5.0125683⟩ Article dans une revue hal-03936657v1
	Local Potential Functional Embedding Theory: A Self-Consistent Flavor of Density Functional Theory for Lattices without Density Functionals Sajanthan Sekaran , Matthieu Saubanère , Emmanuel Fromager Computation, 2022, 10 (3), pp.45. ⟨10.3390/computation10030045⟩ Article dans une revue hal-03833005v1
	Influence of local structural distortion on the magnetism of Na 2 IrO 3 compounds M. Tovar-Olvera , Pedro Ruiz-Díaz , Matthieu Saubanère Physical Review B, 2022, 105 (9), pp.094413. ⟨10.1103/PhysRevB.105.094413⟩ Article dans une revue hal-03653875v1
	Structure, Magnetism, and First-Principles Modeling of the Na 0.5 La 0.5 RuO 3 Perovskite Loi T. Nguyen , M. Saubanère , Qiang Zhang , Robert Cava Chemistry of Materials, 2021, 33 (2), pp.600-607. ⟨10.1021/acs.chemmater.0c03775⟩ Article dans une revue hal-03128414v1
	Householder-transformed density matrix functional embedding theory Sajanthan Sekaran , Masahisa Tsuchiizu , M. Saubanère , Emmanuel Fromager Physical Review B, 2021, 104 (3), ⟨10.1103/PhysRevB.104.035121⟩ Article dans une revue hal-03366562v1
	The Structural Stability of P2-Layered Na-Based Electrodes during Anionic Redox Jean Vergnet , Matthieu Saubanère , Marie-Liesse Doublet , Jean‐marie Tarascon , Jean‐marie Tarascon Joule, 2020, 4 (2), pp.420-434. ⟨10.1016/j.joule.2019.12.003⟩ Article dans une revue hal-02487790v1
	Charge Transfer Band Gap as an Indicator of Hysteresis in Li-Disordered Rock Salt Cathodes for Li-Ion Batteries Quentin Jacquet , Antonella Iadecola , Matthieu Saubanère , Haifeng Li , Erik. Berg Journal of the American Chemical Society, 2019, 141 (29), pp.11452-11464. ⟨10.1021/jacs.8b11413⟩ Article dans une revue hal-02267408v1
	Synthesis and Electrochemical Activity of Some Na(Li)‐Rich Ruthenium Oxides with the Feasibility to Stabilize Ru 6+ Misae Otoyama , Quentin Jacquet , Antonella Iadecola , Matthieu Saubanère , Gwenaelle Rousse Advanced Energy Materials, 2019, 9 (15), pp.1803674. ⟨10.1002/aenm.201803674⟩ Article dans une revue hal-02133378v1
	Site-occupation Green's function embedding theory: A density functional approach to dynamical impurity solvers Laurent Mazouin , M. Saubanère , Emmanuel Fromager Physical Review B, 2019, 100 (19), ⟨10.1103/PhysRevB.100.195104⟩ Article dans une revue hal-02346416v1
	Unified picture of anionic redox in Li/Na-ion batteries Mouna Ben Yahia , Jean Vergnet , Matthieu Saubanère , Marie-Liesse Doublet Nature Materials, 2019, 18 (5), pp.496-502. ⟨10.1038/s41563-019-0318-3⟩ Article dans une revue hal-02128369v1
	Alkali-glass behavior in honeycomb-type layered Li3-xNaxNi2SbO6 solid solution Coélio Vallée , Matthieu Saubanère , Paula Sanz Camacho , Yohan Biecher , Bernard Fraisse Inorganic Chemistry, 2019, 58 (17), pp.11546-11552. ⟨10.1021/acs.inorgchem.9b01385⟩ Article dans une revue hal-02289822v1
	Anionic Redox Activity in a Newly Zn-Doped Sodium Layered Oxide P2-Na2/3 Mn1− y Zn y O2 (0 < y < 0.23) Xue Bai , Mariyappan Sathiya , Beatriz Mendoza-Sanchez , Antonella Iadecola , Jean Vergnet Advanced Energy Materials, 2018, 8 (32), pp.1802379. ⟨10.1002/aenm.201802379⟩ Article dans une revue hal-01900349v1
	Modelling CO 2 transfer in foil ripened semi-hard Swiss-type cheese F. Acerbi , Valérie V. Guillard , M. Saubanère , C. Guillaume , Nathalie Gontard Journal of Food Engineering, 2018, 222, pp.73 - 83. ⟨10.1016/j.jfoodeng.2017.10.025⟩ Article dans une revue hal-01645481v1
	Chemical Activity of the Peroxide/Oxide Redox Couple: Case Study of Ba 5 Ru 2 O 11 in Aqueous and Organic Solvents Alexis Grimaud , Antonella Iadecola , Dmitry Batuk , Matthieu Saubanère , Artem Abakumov Chemistry of Materials, 2018, 30 (11), pp.3882-3893. ⟨10.1021/acs.chemmater.8b01372⟩ Article dans une revue hal-02388363v1
	Atomic Structure of 2 nm Size Metallic Cobalt Prepared by Electrochemical Conversion: An in Situ Pair Distribution Function Study Wei Li , Olaf Borkiewicz , Matthieu Saubanère , Marie-Liesse Doublet , Delphine Flahaut Journal of Physical Chemistry C, 2018, 122 (42), pp.23861-23866. ⟨10.1021/acs.jpcc.8b06573⟩ Article dans une revue hal-01900257v1
	Competition between Metal Dissolution and Gas Release in Li-Rich Li 3 Ru y Ir 1– y O 4 Model Compounds Showing Anionic Redox Quentin Jacquet , Antonella Iadecola , Matthieu Saubanère , Louis Lemarquis , Erik J. Berg Chemistry of Materials, 2018, 30 (21), pp.7682-7690. ⟨10.1021/acs.chemmater.8b02955⟩ Article dans une revue hal-01947196v1
	Electrostatic interactions vs. second order Jahn-Teller distortion as the source of structural diversity in Li 3 MO 4 compounds (M = Ru, Nb, Sb and Ta) Quentin Jacquet , Gwenaëlle Rousse , Antonella Iadecola , Matthieu Saubanère , Marie-Liesse Doublet Chemistry of Materials, 2018, 30 (2), pp.392-402. ⟨10.1021/acs.chemmater.7b04117⟩ Article dans une revue hal-03316570v1
	Activation of surface oxygen sites on an iridium-based model catalyst for the oxygen evolution reaction Alexis Grimaud , Arnaud Demortiere , Matthieu Saubanere , Walid Dachraoui , Martial Duchamp Nature Energy, 2017, 2 (1), pp.1-10. ⟨10.1038/nenergy.2016.189⟩ Article dans une revue hal-03315781v1
	Requirements for reversible extra-capacity in Li-rich layered oxides for Li-ion batteries Ying Xie , Matthieu Saubanère , Marie-Liesse Doublet Energy & Environmental Science, 2017, 10 (1), pp.266-274. ⟨10.1039/c6ee02328b⟩ Article dans une revue hal-01443838v1
	Approaching the limits of cationic and anionic electrochemical activity with the Li-rich layered rocksalt Li3IrO4 Arnaud J Perez , Quentin Jacquet , Dmitry Batuk , Antonella Iadecola , Matthieu Saubanère Nature Energy, 2017, 2 (12), pp.954-962. ⟨10.1038/s41560-017-0042-7⟩ Article dans une revue hal-03316568v1
	Evidence for anionic redox activity in a tridimensional-ordered Lirich positive electrode -Li2IrO3 Paul E Pearce , Arnaud J Perez , Gwenaelle Rousse , Matthieu Saubanère , Dmitry Batuk Nature Materials, 2017, 16 (5), pp.580-586. ⟨10.1038/nmat4864⟩ Article dans une revue hal-03317546v1
	The intriguing question of anionic redox in high-energy density cathodes for Li-ion batteries M. Saubanère , Eric Mccalla , Jean‐marie Tarascon , Marie-Liesse Doublet Energy & Environmental Science, 2016, 9, pp.984. ⟨10.1039/c5ee03048j⟩ Article dans une revue hal-01297326v1
	A2VO(SO4)2 (A = Li, Na) as Electrodes for Li-Ion and Na-Ion Batteries Meiling Sun , Gwenaelle Rousse , Matthieu Saubanère , Marie-Liesse Doublet , Daniel Alves Dalla Corte Chemistry of Materials, 2016, 28 (18), pp.6637-6643. ⟨10.1021/acs.chemmater.6b02759⟩ Article dans une revue hal-01471898v1
	Interaction-energy functional of the Hubbard model: Local formulation and application to low-dimensional lattices Matthieu Saubanère , Marie-Bernadette Lepetit , G. Pastor Physical Review B, 2016, 94 (4), pp.045102. ⟨10.1103/PhysRevB.94.045102⟩ Article dans une revue hal-01981361v1
	A Fully Ordered Triplite, LiCuSO 4 F Meiling Sun , Gwenaelle Rousse , Daniel Alves Dalla Corte , Matthieu Saubanère , Marie-Liesse Doublet Chemistry of Materials, 2016, 28, pp.1607-1610. ⟨10.1021/acs.chemmater.5b04478⟩ Article dans une revue hal-01396266v1
	An appraisal of the impact of compositional and ripening parameters on CO2 diffusivity in semi-hard cheese Filippo Acerbi , Valérie V. Guillard , Carole Guillaume , M. Saubanère , Nathalie Gontard Food Chemistry, 2016, 194, pp.1172-1179. ⟨10.1016/j.foodchem.2015.08.020⟩ Article dans une revue hal-01212462v1
	Electrochemical activity and high ionic conductivity of lithium copper pyroborate Li₆CuB₄O₁₀ F. Strauss , G. Rousse , Daniel Alves Dalla Corte , M. Ben Hassine , M. Saubanère Physical Chemistry Chemical Physics, 2016, 18, pp.14960 - 14969. ⟨10.1039/c6cp01581f⟩ Article dans une revue hal-01348686v1
	Strong Oxygen Participation in the Redox Governing the Structural and Electrochemical Properties of Na-Rich Layered Oxide Na₂ IrO₃ Arnaud J. Perez , Dmitry Batuk , Matthieu Saubanère , Gwenaelle Rousse , Dominique Foix Chemistry of Materials, 2016, 28 (22), pp.8278 - 8288. ⟨10.1021/acs.chemmater.6b03338⟩ Article dans une revue hal-01405732v1
	Influence of polymorphism on the electrochemical behavior of MxSb negative electrodes in Li/Na batteries Matthieu Saubanère , Mouna Ben Yahia , Frédéric Lemoigno , Marie-Liesse Doublet Journal of Power Sources, 2015, pp.1-6. ⟨10.1016/j.jpowsour.2015.01.093⟩ Article dans une revue hal-01109354v1
	Reversible Li-Intercalation through Oxygen Reactivity in Li-Rich Li-Fe-Te Oxide Materials E. Mccalla , A. S. Prakash , E. Berg , Matthieu Saubanère , A. M. Abakumov Journal of The Electrochemical Society, 2015, 162 (7), pp.A1341-51. ⟨10.1149/2.0991507jes⟩ Article dans une revue hal-01196301v1
	Origin of voltage decay in high-capacity layered oxide electrodes M. Sathiya , Artem M. Abakumov , Dominique Foix , G. Rousse , G Vantendeloo Nature Materials, 2015, pp.1-9. ⟨10.1038/nmat4137⟩ Article dans une revue hal-01091051v1
	Visualization of O-O peroxo-like dimers in high-capacity layered oxides for Li-ion batteries Eric Mccalla , Artem M Abakumov , Matthieu Saubanère , Dominique Foix , Erik J Berg Science, 2015, 305 (6267), pp.1516-1521. ⟨10.1126/science.aac8260⟩ Article dans une revue hal-01253767v1
	Unraveling the Structure of Iron(III) Oxalate Tetrahydrate and Its Reversible Li Insertion Capability Hania Ahouari , Gwenaëlle Rousse , Juan Rodriguez Carvajal , Juan Rodriguez-Carvajal , Moulay Tahar Sougrati Chemistry of Materials, 2015, 27, pp.1631-1639. ⟨10.1021/cm5043149⟩ Article dans une revue hal-01142918v1
	Lattice density-functional theory of the attractive Hubbard model M. Saubanère , G.M. Pastor Physical Review B: Condensed Matter and Materials Physics (1998-2015), 2014, 90, pp.125128. ⟨10.1103/PhysRevB.90.125128⟩ Article dans une revue hal-01212479v1
	An intuitive and efficient method for cell voltage prediction of lithium and sodium-ion batteries Matthieu Saubanère , Mouna Ben Yahia , Lebègue Sébastien , Marie-Liesse Doublet Nature Communications, 2014, 5, pp.1-5. ⟨10.1038/ncomms6559⟩ Article dans une revue hal-01088512v1
	Origin of the Voltage Hysteresis in the CoP Conversion Material for Li-Ion Batteries Rémi Khatib , Anne-Laure Dalverny , Matthieu Saubanère , Miran Gaberscek , Marie-Liesse Doublet Journal of Physical Chemistry C, 2013, 117 (2), pp.837-849. ⟨10.1021/jp310366a⟩ Article dans une revue hal-00793930v1

	Atomistic Modeling of Electrode Materials for Li-Ion Batteries: From Bulk to Interfaces Matthieu Saubanère , Jean-Sébastien Filhol , Marie-Liesse Doublet Springer London Heidelberg New York Dordrecht. Physcial Multiscale Modeling and Numerical Simulation if Electrochemical Devices for Energy Conversion and Storage: From Theory to to Practice, Springer-Verlag London 2016, 2016, 978-1-4471-5677-2. ⟨10.1007/978-1-4471-5677-2⟩ Chapitre d'ouvrage hal-02003356v1

Matthieu Saubanère

Publications

Toward Density Functional Theory on Quantum Computers ?

Unitary transformations within density matrix embedding approaches: A perspective on the self-consistent scheme for electronic structure calculation

Recursive relations and quantum eigensolver algorithms within modified Schrieffer-Wolff transformations for the Hubbard dimer

A Versatile Unitary Transformation Framework for an Optimal Bath Construction in Density-Matrix Based Quantum Embedding Approaches

Quantum embedding of multi-orbital fragments using the block-Householder transformation

Local Potential Functional Embedding Theory: A Self-Consistent Flavor of Density Functional Theory for Lattices without Density Functionals

Influence of local structural distortion on the magnetism of Na 2 IrO 3 compounds

Structure, Magnetism, and First-Principles Modeling of the Na 0.5 La 0.5 RuO 3 Perovskite

Householder-transformed density matrix functional embedding theory

The Structural Stability of P2-Layered Na-Based Electrodes during Anionic Redox

Charge Transfer Band Gap as an Indicator of Hysteresis in Li-Disordered Rock Salt Cathodes for Li-Ion Batteries

Synthesis and Electrochemical Activity of Some Na(Li)‐Rich Ruthenium Oxides with the Feasibility to Stabilize Ru 6+

Site-occupation Green's function embedding theory: A density functional approach to dynamical impurity solvers

Unified picture of anionic redox in Li/Na-ion batteries

Alkali-glass behavior in honeycomb-type layered Li3-xNaxNi2SbO6 solid solution

Anionic Redox Activity in a Newly Zn-Doped Sodium Layered Oxide P2-Na2/3 Mn1− y Zn y O2 (0 < y < 0.23)

Modelling CO 2 transfer in foil ripened semi-hard Swiss-type cheese

Chemical Activity of the Peroxide/Oxide Redox Couple: Case Study of Ba 5 Ru 2 O 11 in Aqueous and Organic Solvents

Atomic Structure of 2 nm Size Metallic Cobalt Prepared by Electrochemical Conversion: An in Situ Pair Distribution Function Study

Competition between Metal Dissolution and Gas Release in Li-Rich Li 3 Ru y Ir 1– y O 4 Model Compounds Showing Anionic Redox

Electrostatic interactions vs. second order Jahn-Teller distortion as the source of structural diversity in Li 3 MO 4 compounds (M = Ru, Nb, Sb and Ta)

Activation of surface oxygen sites on an iridium-based model catalyst for the oxygen evolution reaction

Requirements for reversible extra-capacity in Li-rich layered oxides for Li-ion batteries

Approaching the limits of cationic and anionic electrochemical activity with the Li-rich layered rocksalt Li3IrO4

Evidence for anionic redox activity in a tridimensional-ordered Lirich positive electrode -Li2IrO3

The intriguing question of anionic redox in high-energy density cathodes for Li-ion batteries

A2VO(SO4)2 (A = Li, Na) as Electrodes for Li-Ion and Na-Ion Batteries

Interaction-energy functional of the Hubbard model: Local formulation and application to low-dimensional lattices

A Fully Ordered Triplite, LiCuSO 4 F

An appraisal of the impact of compositional and ripening parameters on CO2 diffusivity in semi-hard cheese

Electrochemical activity and high ionic conductivity of lithium copper pyroborate Li6CuB4O10

Strong Oxygen Participation in the Redox Governing the Structural and Electrochemical Properties of Na-Rich Layered Oxide Na2 IrO3

Influence of polymorphism on the electrochemical behavior of MxSb negative electrodes in Li/Na batteries

Reversible Li-Intercalation through Oxygen Reactivity in Li-Rich Li-Fe-Te Oxide Materials

Origin of voltage decay in high-capacity layered oxide electrodes

Visualization of O-O peroxo-like dimers in high-capacity layered oxides for Li-ion batteries

Unraveling the Structure of Iron(III) Oxalate Tetrahydrate and Its Reversible Li Insertion Capability

Lattice density-functional theory of the attractive Hubbard model

An intuitive and efficient method for cell voltage prediction of lithium and sodium-ion batteries

Origin of the Voltage Hysteresis in the CoP Conversion Material for Li-Ion Batteries

Atomistic Modeling of Electrode Materials for Li-Ion Batteries: From Bulk to Interfaces

Electrochemical activity and high ionic conductivity of lithium copper pyroborate Li₆CuB₄O₁₀

Strong Oxygen Participation in the Redox Governing the Structural and Electrochemical Properties of Na-Rich Layered Oxide Na₂ IrO₃