MEJUTO ZAERA Carlos

Chargé de Recherche CNRS

cmejutozaera(at)irsamc.ups-tlse.fr

My research concerns the modelling of electronic correlation in both solid state and molecular systems. Leveraging their common features while heeding their differences, I work on bridging traditional theoretical approaches for both of them to gain new insight and improve their respective descriptions. My interests include:

  • Embedding models of strong correlation, such as dynamical mean-field theory or Gutzwiller-based approaches.
  • High order vertex corrections in many-body perturbation theory.
  • Quantum algorithms for simulating the many-body problem.

For a list of my publications, see my Google Scholar. All my papers are accessible through arXiv.

19 documents

Articles dans une revue

  • Diego Florez-Ablan, Carlos Mejuto-Zaera, Massimo Capone. Bath parameterization in multi-band cluster Dynamical Mean-Field Theory. Physical Review B, 2025, 112, pp.085153. ⟨10.1103/lnhv-kvy4⟩. ⟨hal-05185985⟩
  • Samuele Giuli, Carlos Mejuto-Zaera, Massimo Capone. Altermagnetism from interaction-driven itinerant magnetism. Physical Review B, 2025, 111 (2), pp.L020401. ⟨10.1103/PhysRevB.111.L020401⟩. ⟨hal-04942709⟩
  • Antonio Maria Tagliente, Carlos Mejuto-Zaera, Michele Fabrizio. Revealing spinons by proximity effect. Physical Review B, 2025, 111 (12), pp.125110. ⟨10.1103/PhysRevB.111.125110⟩. ⟨hal-05042718⟩
  • Gabriele Bellomia, Carlos Mejuto-Zaera, Massimo Capone, Adriano Amaricci. Quasilocal entanglement across the Mott-Hubbard transition. Physical Review B, 2024, 109 (11), pp.115104. ⟨10.1103/PhysRevB.109.115104⟩. ⟨hal-04942701⟩
  • Carlos Mejuto-Zaera. Quantum embedding for molecules using auxiliary particles – the ghost Gutzwiller Ansatz. Faraday Discussions, 2024, 254, pp.653-681. ⟨10.1039/D4FD00053F⟩. ⟨hal-04942703⟩
  • Carlos Mejuto-Zaera, Alexander F Kemper. Quantum eigenvector continuation for chemistry applications. Electronic Structure, 2023, 5 (4), pp.045007. ⟨10.1088/2516-1075/ad018f⟩. ⟨hal-04942695⟩
  • Carlos Mejuto-Zaera, Michele Fabrizio. Efficient computational screening of strongly correlated materials: Multiorbital phenomenology within the ghost Gutzwiller approximation. Physical Review B, 2023, 107 (23), pp.235150. ⟨10.1103/PhysRevB.107.235150⟩. ⟨hal-04942698⟩
  • David B Williams-Young, Norm M Tubman, Carlos Mejuto-Zaera, Wibe A de Jong. A parallel, distributed memory implementation of the adaptive sampling configuration interaction method. The Journal of Chemical Physics, 2023, 158 (21), ⟨10.1063/5.0148650⟩. ⟨hal-04942692⟩
  • Carlos Mejuto-Zaera, Vojtěch Vlček. Self-consistency in G W Γ formalism leading to quasiparticle-quasiparticle couplings. Physical Review B, 2022, 106 (16), pp.165129. ⟨10.1103/PhysRevB.106.165129⟩. ⟨hal-04942687⟩
  • Katherine Klymko, Carlos Mejuto-Zaera, Stephen J Cotton, Filip Wudarski, Miroslav Urbanek, et al.. Real-Time Evolution for Ultracompact Hamiltonian Eigenstates on Quantum Hardware. PRX Quantum, 2022, 3 (2), pp.020323. ⟨10.1103/PRXQuantum.3.020323⟩. ⟨hal-04942464⟩
  • Carlos Mejuto-Zaera, Demeter Tzeli, David Williams-Young, Norm M Tubman, Mikuláš Matoušek, et al.. The Effect of Geometry, Spin, and Orbital Optimization in Achieving Accurate, Correlated Results for Iron–Sulfur Cubanes. Journal of Chemical Theory and Computation, 2022, 18 (2), pp.687-702. ⟨10.1021/acs.jctc.1c00830⟩. ⟨hal-04942680⟩
  • Vladimir Kremenetski, Carlos Mejuto-Zaera, Stephen J Cotton, Norm M Tubman. Simulation of adiabatic quantum computing for molecular ground states. The Journal of Chemical Physics, 2021, 155 (23), ⟨10.1063/5.0060124⟩. ⟨hal-04942478⟩
  • Carlos Mejuto-Zaera, Guorong Weng, Mariya Romanova, Stephen J Cotton, K. Birgitta Whaley, et al.. Are multi-quasiparticle interactions important in molecular ionization?. The Journal of Chemical Physics, 2021, 154 (12), ⟨10.1063/5.0044060⟩. ⟨hal-04942390⟩
  • Carlos Mejuto-Zaera, Leonardo Zepeda-Núñez, Michael Lindsey, Norm Tubman, Birgitta Whaley, et al.. Efficient hybridization fitting for dynamical mean-field theory via semi-definite relaxation. Physical Review B, 2020, 101 (3), pp.035143. ⟨10.1103/PhysRevB.101.035143⟩. ⟨hal-04942370⟩
  • Carlos Mejuto-Zaera, Norm M Tubman, K Birgitta Whaley. Dynamical Mean-Field Theory Simulations with the Adaptive Sampling Configuration Interaction Method. Physical Review B, 2019, 100, pp.125165. ⟨10.1103/PhysRevB.100.125165⟩. ⟨hal-04942334⟩

Pré-publications, Documents de travail

  • Norman Hogan, Efekan Kökcü, Thomas Steckmann, Liam Doak, Carlos Mejuto-Zaera, et al.. A quantum computing approach to efficiently simulating correlated materials using impurity models and dynamical mean field theory. 2025. ⟨hal-05233158⟩
  • Ivan Pasqua, Antonio Maria Tagliente, Gabriele Bellomia, Bartomeu Monserrat, Michele Fabrizio, et al.. Quasiparticle band picture bridging topology and strong correlations across energy scales. 2025. ⟨hal-05186003⟩
  • Norm M. Tubman, Carlos Mejuto-Zaera, Jeffrey M. Epstein, Diptarka Hait, Daniel S. Levine, et al.. Postponing the orthogonality catastrophe: efficient state preparation for electronic structure simulations on quantum devices. 2025. ⟨hal-04942349⟩
  • Frank Arute, Kunal Arya, Ryan Babbush, Dave Bacon, Joseph C. Bardin, et al.. Observation of separated dynamics of charge and spin in the Fermi-Hubbard model. 2025. ⟨hal-04942440⟩

 

  • Depuis 2025: Chargé de Recherche CNRS.
  • 2022-2024: Postdoctorant à SISSA.
  • 2021: Visite postdoctorale à UC Santa Barbara.
  • 2016-2021: Doctorant à UC Berkeley.
  • 2011-2016: Étude de physique et chimie Technical University Munich.
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