Quantum Embedding Methods: Materials
FOCUS · N58 · ID: 2155734
Presentations
-
Model self-energies for dynamical correlations in transition-metal monoxides
ORAL
–
Presenters
-
Mario Caserta
- Federal Institute of Technology (EPFL)
Authors
-
Mario Caserta
- Federal Institute of Technology (EPFL)
-
Tommaso Chiarotti
- THEOS, EPFL; NCCR MARVEL
-
Marco Vanzini
- EPFL, ETSF, Colleege Champittet, Pully, Switzerland
-
Nicola Marzari
- Ecole Polytechnique Federale de Lausanne
- THEOS, EPFL; NCCR MARVEL; LSM Paul Scherrer Insitut
- EPFL
- THEOS, EPFL; NCCR, MARVEL; LMS, Paul Scherrer Institut
-
-
Self-consistent quantum defect embedding theory
ORAL
–
Presenters
-
Siyuan Chen
- University of Chicago
Authors
-
Siyuan Chen
- University of Chicago
-
Marco Govoni
- Argonne National Laboratory
- University of Modena and Reggio Emilia
-
Giulia Galli
- University of Chicago
-
-
Energies and spectra of solids from dynamical Hubbard functionals and the algorithmic-inversion method
ORAL
–
Publication: [1] T. Chiarotti, A. Ferretti, and N. Marzari, "Energies and spectra of solids from the algorithmic inversion of localized GW", (2023), arXiv:2302.12193.
Presenters
-
Tommaso Chiarotti
- THEOS, EPFL; NCCR MARVEL
Authors
-
Tommaso Chiarotti
- THEOS, EPFL; NCCR MARVEL
-
Andrea Ferretti
- CNR, Istituto Nanoscienze
-
Nicola Marzari
- Ecole Polytechnique Federale de Lausanne
- THEOS, EPFL; NCCR MARVEL; LSM Paul Scherrer Insitut
- EPFL
- THEOS, EPFL; NCCR, MARVEL; LMS, Paul Scherrer Institut
-
-
DFT + embedded DMFT Study of Doped Rare-Earth Nickelates
ORAL
–
Presenters
-
Nicholas Corkill
- Kent State University
Authors
-
Nicholas Corkill
- Kent State University
-
Gheorghe L Pascut
- Stefan Cel Mare? University (USV)
- Stefan Cel Mare University (USV)
-
Khandker F Quader
- Kent State University
- Department of Physics, Kent State University
-
-
Design Decisions in the Creation of Parameter Free Embedding Theories
ORAL · Invited
–
Presenters
-
Emanuel C Gull
- University of Michigan
Authors
-
Emanuel C Gull
- University of Michigan
-
-
Understanding effective model derivation for an Fe<sub>Al</sub><sup>0</sup> point defect in AlN using ab-initio quantum Monte Carlo calculations
ORAL
–
Presenters
-
Kevin G Kleiner
- University of Illinois at Urbana-Champaign
- Department of Physics, University of Illinois at Urbana-Champaign, Urbana, Illinois 61801, USA
Authors
-
Kevin G Kleiner
- University of Illinois at Urbana-Champaign
- Department of Physics, University of Illinois at Urbana-Champaign, Urbana, Illinois 61801, USA
-
Cyrus E Dreyer
- Center for Computational Quantum Physics, Flatiron Institute, 162 5th Avenue, New York, New York, 11010, USA
-
Lucas K Wagner
- University of Illinois at Urbana-Champaign
- Department of Physics, University of Illinois at Urbana-Champaign, Urbana, Illinois 61801, USA
- University of Illinois at Urbana-Champaign.
-
-
Computing the Hall conductivity of strained Sr2RuO4
ORAL
–
Presenters
-
Fabian B Kugler
- Flatiron Institute, Simons Foundation
- Rutgers University, New Brunswick
Authors
-
Fabian B Kugler
- Flatiron Institute, Simons Foundation
- Rutgers University, New Brunswick
-
Lorenzo X Van Munoz
- Massachusetts Institute of Technology MIT
-
Sophie Beck
- Simons Foundation
-
Jason Kaye
- Flatiron Institute
- Flatiron Institute, Simons Foundation
-
Antoine Georges
- College de France
-
-
Comparison of Quantum Embedding Methods on Fe Impurity in AlN
ORAL
–
Presenters
-
Leon W Otis
- University of Chicago
Authors
-
Leon W Otis
- University of Chicago
-
Laura Gagliardi
- University of Chicago
- University of Minnesota
-
Giulia Galli
- University of Chicago
-
-
Understanding the many-body electronic structure of the nitrogen-vacancy center in diamond
ORAL
–
Publication: Understanding the many-body electronic structure of the nitrogen-vacancy center in diamond under pressure, Alan Custodio dos Reis Souza, Mariya Romanova, Michele Casula, Jelena Sjakste, and Nathalie Vast (2023).
Presenters
-
Nathalie Vast
- CEA-Saclay
Authors
-
Nathalie Vast
- CEA-Saclay
-
Alan CUSTODIO DOS REIS SOUZA
- Laboratoire des Solides Irradiés, CEA-Saclay
-
Mariya ROMANOVA
- CEA Cadarache
-
Michele Casula
- Sorbonne University
-
Jelena Sjakste
- CNRS
-