First-Principles Modeling of Excited-State Phenomena II: Computational Advances
FOCUS · F7 ·
Presentations
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Cubic scaling $GW$: towards fast quasiparticle calculations
ORAL
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Authors
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Peitao Liu
- University of Vienna, Faculty of Physics and Center for Computational Materials Science, Sensengasse 8/12, A-1090 Vienna, Austria
- Faculty of Physics and Center for Computational Materials Science, Sensengasse 8/12, A-1090 Vienna, Austria
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Merzuk Kaltak
- University of Vienna, Faculty of Physics and Center for Computational Materials Science, Sensengasse 8/12, A-1090 Vienna, Austria
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Ji\v{r}\'{\i} Klime\v{s}
- J. Heyrovsk\'{y} Institute of Physical Chemistry, Academy of Sciences of the Czech Republic, Dolej\v{s}kova 3, CZ-18223 Prague 8, Czech Republic
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Georg Kresse
- University of Vienna, Faculty of Physics and Center for Computational Materials Science, Sensengasse 8/12, A-1090 Vienna, Austria
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Speeding up GW Calculations for Large Scale Quasiparticle Predictions
ORAL
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Authors
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Weiwei Gao
- State Univ of NY - Buffalo
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Weiyi Xia
- State Univ of NY - Buffalo
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Xiang Gao
- Beijing Computational Science Research Center
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Peihong Zhang
- SUNY Buffalo
- Shanghai University and State Univ of NY - Buffalo
- State Univ of NY - Buffalo
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Efficient large-scale GW calculations for 2D materials
ORAL
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Authors
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Weiyi Xia
- State Univ of NY - Buffalo
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Weiwei Gao
- State Univ of NY - Buffalo
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Yabei Wu
- Shanghai University and State Univ of NY - Buffalo
- State Univ of NY - Buffalo
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Peihong Zhang
- SUNY Buffalo
- Shanghai University and State Univ of NY - Buffalo
- State Univ of NY - Buffalo
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Many-body perturbation theory for excited electrons: from materials to molecules
COFFEE_KLATCH · Invited
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Authors
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Fabien Bruneval
- Service de Recherches de Métallurgie Physique, CEA Saclay, France
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Verification and Validation of GW calculations for solids
ORAL
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Authors
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Ikutaro Hamada
- National Institute for Materials Science
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Marco Govoni
- Institute for Molecular Engineering, University of Chicago; Materials Science Division, Argonne National Laboratory
- Argonne National Laboratory and University of Chicago
- Materials Science Division, Argonne National Laboratory and Institute for Molecular Engineering, University of Chicago and
- University of Chicago and Argonne National Laboratory
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Giulia Galli
- Univ of Chicago and Argonne National Laboratory
- Univ of Chicago
- University of Chicago; Argonne National Laboratory
- Institute for Molecular Engineering, University of Chicago; Argonne National Laboratory
- Institute for Molecular Engineering, University of Chicago and Materials Science Division, Argonne Natl Lab
- Institute for Molecular Engineering, University of Chicago; Materials Science Division, Argonne National Laboratory
- Institute for Molecular Engineering, University of Chicago, Chicago, IL 60637 and Materials Science Division, Argonne National Laboratory, Lemont, IL
- Institute for Molecular Engineering, University of Chicago and Argonne Natl Lab
- University of Chicago, Chicago, IL 60637, USA
- The University of Chicago, Institute for Molecular Engineering and Argonne National Laboratory
- Argonne National Laboratory and University of Chicago
- Institute for Molecular Engineering, University of Chicago and Materials Science Division, Argonne National Laboratory
- University of Chicago
- The University of Chicago
- University of Chicago and Argonne National Laboratory
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Large Scale Many-Body Perturbation Theory calculations: methodological developments, data collections, validation
ORAL
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Authors
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Marco Govoni
- Institute for Molecular Engineering, University of Chicago; Materials Science Division, Argonne National Laboratory
- Argonne National Laboratory and University of Chicago
- Materials Science Division, Argonne National Laboratory and Institute for Molecular Engineering, University of Chicago and
- University of Chicago and Argonne National Laboratory
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Giulia Galli
- Univ of Chicago and Argonne National Laboratory
- Univ of Chicago
- University of Chicago; Argonne National Laboratory
- Institute for Molecular Engineering, University of Chicago; Argonne National Laboratory
- Institute for Molecular Engineering, University of Chicago and Materials Science Division, Argonne Natl Lab
- Institute for Molecular Engineering, University of Chicago; Materials Science Division, Argonne National Laboratory
- Institute for Molecular Engineering, University of Chicago, Chicago, IL 60637 and Materials Science Division, Argonne National Laboratory, Lemont, IL
- Institute for Molecular Engineering, University of Chicago and Argonne Natl Lab
- University of Chicago, Chicago, IL 60637, USA
- The University of Chicago, Institute for Molecular Engineering and Argonne National Laboratory
- Argonne National Laboratory and University of Chicago
- Institute for Molecular Engineering, University of Chicago and Materials Science Division, Argonne National Laboratory
- University of Chicago
- The University of Chicago
- University of Chicago and Argonne National Laboratory
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Single-particle and two-particle excited states with strong spin-orbit coupling
ORAL
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Authors
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Bradford A. Barker
- University of California, Berkeley and Lawrence Berkeley National Laboratory
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Steven G. Louie
- University of California, Berkeley and Lawrence Berkeley National Laboratory
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Spin-orbit coupling effects in excited-state phenomena: ab initio plane-wave-based GW and GW-BSE studies
ORAL
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Authors
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Meng Wu
- Physics Department, UC Berkeley and Lawrence Berkeley National Lab
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Steven G. Louie
- Department of Physics, UC Berkeley and Lawrence Berkeley National Lab
- UC Berkeley and Lawrence Berkeley National Lab
- University of California at Berkeley and Lawrence Berkeley National Lab
- Physics Department, UC Berkeley and Lawrence Berkeley National Lab
- Department of Physics, University of California at Berkeley and Materials Sciences Division, Lawrence Berkeley National Laboratory
- Univ of California - Berkeley and Lawrence Berkeley National Lab
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Exploring various sources of electron-hole screening in CH$_3$NH$_3$PbI$_3$ solar cell materials using the Bethe-Salpeter equation
ORAL
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Authors
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Joshua Leveillee
- University of Illinois, Urbana-Champaign
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Andre Schleife
- University of Illinois at Urbana-Champaign
- Univ of Illinois - Urbana
- University of Illinois, Urbana-Champaign
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Abstract Withdrawn
ORAL · Withdrawn
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GW/Bethe-Salpeter calculations for charged and model systems from real-space DFT
ORAL
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Authors
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David Strubbe
- Department of Physics, University of California, Merced
- University of California, Merced
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Study of local currents in 2D materials and junctions using a point source and TDDFT
ORAL
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Authors
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Shenglai He
- Vanderbilt University
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Kalman Varga
- Vanderbilt University
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Speed-up of GW Full-Frequency Calculations using the Static Dielectric Matrix Subspace Approximation
ORAL
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Authors
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Mauro Del Ben
- Lawrence Berkeley National Laboratory
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Felipe H. da Jornada
- University of California at Berkeley and Lawrence Berkeley National Laboratory
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Jack Deslippe
- NERSC, Lawrence Berkeley National Laboratory
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Steven G. Louie
- University of California at Berkeley and Lawrence Berkeley National Laboratory
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Andrew Canning
- Lawrence Berkeley National Laboratory
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