Laboratoire de Physique Théorique
Toulouse - UMR 5152

Chargée de Recherche CNRS (CRCN, HDR)

Contact : pina.romaniello@irsamc.ups-tlse.fr

Address : Laboratoire de Physique Théorique, IRSAMC, Université Paul Sabatier, 118 Route de Narbonne, 31062 Toulouse Cedex 4, France

Office : 332 Bâtiment 3R1B4

Phone : +33 (0)5 61 55 75 74

Fax : +33 (0)5 61 55 60 65

Curriculum Vitae

Research Topics and Team

My scientific work can be regrouped into two main research blocks:
• Formal developments, implementation, and applications in density functional theory (DFT)
• Formal developments, implementation, and applications in many-body perturbation theory (MBPT) based on Green’s functions

DFT and MBPT are two state-of-the-art frameworks for the description and prediction of material properties, such as photoemission, optical absorption and metal-insulator transitions. In particular I am interested in the description of strongly correlated materials, which physics is difficult to capture using standard approximations.

I currently supervise a team of two postdocs and two PhD students.

• Current team members
  
  
• Stefano Di SABATINO (Postdoc, ANR )

  After a one-year postdoc position with me and my colleague Pierre-François LOOS (LCPQ), Stefano is now working with Michel CAFFAREL (LCPQ) and myself on merging QMC with many-body perturbation theory. Stefano is also working on other side projects on strong electron correlation.





• Jaakko KOSKELO (Postdoc, ANR)

  Jaakko is on a two-year postdoctoral contract with me and my colleague Arjan BERGER (LCPQ). He works on refining a method (the many-body effective energy theory, Phys. Rev. B 94, 155141 (2016)) we recently derived to describe the Mott gap in strongly correlated insulators from first principles.





• Roberto ORLANDO (PhD, 80|PRIME)

  Roberto has just started his PhD with my colleague Pierre-François LOOS (LCPQ) and myself. He is exploring new approximations to the kernel of the Bethe-Salpeter equation, which is used in MBPT for the description of optical spectra.





• Gabriele RIVA (PhD, ANR)

  Gabriele has just started his PhD with my colleague Arjan BERGER (LCPQ) and myself. Being the one-body and the two-body Green’s functions too simple for him, he is working with the three-body Green’s functions!!!

• Past team members
  
  
• Rubén R. Ferradás (post-doc)
• Sarah Cavo (M1)
• Stefano Di Sabatino (PhD)
• Nathaniel Raimbault (PhD)
• Nicolas Victorin (L3)
• Nader Slama (M2)

Publications

• Latest publications
Photoemission spectrum in paramagnetic FeO under pressure: towards an ab-initio description Stefano Di Sabatino, J. Koskelo, J. A. Berger, and Pina Romaniello, Phys. Rev. Research 3, 013172 (2021)

Potential energy surfaces without unphysical discontinuities: the Coulomb-hole plus screened exchange approach J. A. Berger, Pierre-François Loos, and Pina Romaniello, J. Chem. Theory Comput. 17, 191 (2021)

Optical spectra of 2D monolayers from time-dependent density functional theory Stefano Di Sabatino, J. A. Berger, and Pina Romaniello, Faraday Discussions, 224, 467 (2020)

Accurate optical spectra of solids from pure time-dependent density-functional theory Sarah Cavo, J.A. Berger, and Pina Romaniello, Phys. Rev. B 101, 115109 (2020)

• Full list of publications
• Ph.D Thesis
• HDR Thesis

• The N-body problem in condensed matter; GDR NBODY general meeting, Lille, France (2020)
• Photoemission Spectra beyond GW: The Band Gap in Strongly Correlated Systems; ETSF workshop on Electronic Excitations, Jena, Germany (2019)
• Correlation and Spectroscopy in Reduced Density Matrix Functional Theory; CECAM workshop `New challenges in Reduced Density Matrix Functional Theory: Symmetries, time-evolution and entanglement’’, Lausanne, Swizerland (2017)
• Photoemission spectra beyond GW: the band gap in strongly correlated systems; workshop `Quantum Many-Body Methods in Condensed Matter Systems’, Aachen, Germany (2016)
• Reduced density matrix functionl theory: correlation and spectroscopy; ICTP : total energy and force methods, Trieste, Italy (2015)
• Determination of the one-body Green’s function: freedom and constraints; 17th ETSF workshop on Electronic Excitations, Coimbra, Portugal (2012)
• Insights in the T-matrix formalism; 16th ETSF workshop on Electronic Excitations, Turin, Italy (2011)
• DFT: insight from MBPT; workshop `DFT: Fundamentals and Applications in Condensed Matter Physics’, Banff, Canada (2011)
• Beyond GW: local and nonlocal vertex corrections; workshop `From Basic Concepts to Real Materials’, Santa Barbara, USA (2009)
• Double Excitations in Finite Systems; workshop `Time-Dependent Density Functional Theory: Prospects and Applications’ , Benasque, Spain (2008)

Master/PhD projects: There are no PhD/post-doc positions currently available in my group. Please contact me if you are interested in a stage.