First-Principles Modeling of Excited-State Phenomena in Materials V: Method Development
FOCUS · M22 · ID: 381280
Presentations
-
Stochastic many-body methods for quasiparticle excitations in realistic nanoscale systems
Invited
–
Presenters
-
Vojtech Vlcek
- University of California, Santa Barbara
Authors
-
Vojtech Vlcek
- University of California, Santa Barbara
-
-
Time-resolved exciton wave functions from time-dependent density-functional theory
ORAL
–
Presenters
-
Jared Williams
- University of Missouri
Authors
-
Jared Williams
- University of Missouri
-
Carsten Ullrich
- University of Missouri
- Physics, University of Missouri
-
Nicolas Tancogne-Dejean
- Max Planck Institute for the Structure and Dynamics of Matter
-
-
Low-scaling <i>GW </i>calculations for molecules with benchmark accuracy
ORAL
–
Presenters
-
Jan Wilhelm
- University of Regensburg
Authors
-
Jan Wilhelm
- University of Regensburg
-
Dorothea Golze
- Aalto University
- Aalto University, Finland
-
-
Band structure of semiconductors and insulators from Koopmans-compliant functionals
ORAL
–
Presenters
-
Riccardo De Gennaro
- École Polytechnique Fédérale de Lausanne
- École Polytechnique Fédérale de Lausanne (EPFL)
- Theory and Simulations of Materials (THEOS), and National Center for Computational Design and Discovery of Novel Materials (MARVEL), Ecole Polytechnique Federale de Lausanne
Authors
-
Riccardo De Gennaro
- École Polytechnique Fédérale de Lausanne
- École Polytechnique Fédérale de Lausanne (EPFL)
- Theory and Simulations of Materials (THEOS), and National Center for Computational Design and Discovery of Novel Materials (MARVEL), Ecole Polytechnique Federale de Lausanne
-
Nicola Colonna
- Paul Scherrer Institut
- Paul Scherrer Institut (PSI)
- Laboratory for Neutron Scattering and Imaging, and National Center for Computational Design and Discovery of Novel Materials (MARVEL), Paul Scherrer Institute (PSI)
-
Nicola Marzari
- Ecole Polytechnique Federale de Lausanne
- Theory and Simulation of Materials (THEOS), and National Centre for Computational Design and Discovery of Novel Materials (MARVEL), Ecole Polytechnique Federale de Lausanne
- École Polytechnique Fédérale de Lausanne
- Theory and Simulation of Materials (THEOS), and National Centre for Computational Design and Discovery of Novel Materials (MARVEL), Ecole Polytechnique Federale de Lausanne,
- Theory and Simulation of Materials (THEOS), Faculté des Sciences et Techniques de l’Ingénieur, École Polytechnique Fédérale de Lausanne
- THEOS, EPFL
- École Polytechnique Fédérale de Lausanne (EPFL)
- Theory and Simulation of Materials (THEOS) and National Centre for Computational Design and Discovery of Novel Materials (MARVEL), École Polytechnique Fédérale de Lausanne (E
- Theory and Simulation of Materials (THEOS), and National Centre for Computational Design and Discovery of Novel Materials (MARVEL), EPFL, CH-1015 Lausanne, Switzerland
- Theory and simulation of materials (THEOS), National Centre for Computational Design and Discovery of Novel Materials (MARVEL), EPFL
- Materials Engineering, EPFL
- Theory and Simulations of Materials (THEOS), and National Center for Computational Design and Discovery of Novel Materials (MARVEL), Ecole Polytechnique Federale de Lausanne
-
-
Going beyond the cumulant approximation systematically: Power series expansion of quasiparticle Green’s function.
ORAL
–
Presenters
-
Bipul Pandey
- University of Chicago
Authors
-
Bipul Pandey
- University of Chicago
-
Peter Littlewood
- University of Chicago
- Physics, University of Chicago
-
-
Improving stochastic Green’s function methods for localized states in low-dimensional heterostructures
ORAL
–
Presenters
-
Mariya Romanova
- University of California, Santa Barbara
Authors
-
Mariya Romanova
- University of California, Santa Barbara
-
Vojtech Vlcek
- University of California, Santa Barbara
-
-
Band gaps of crystalline solids from Wannier-localization based optimal tuning of a screened range-separated hybrid functional
ORAL
–
Presenters
-
Dahvyd Wing
- Materials and Interfaces, Weizmann Institute for Science
- Department of Materials and Interfaces, Weizmann Institute of Science
Authors
-
Dahvyd Wing
- Materials and Interfaces, Weizmann Institute for Science
- Department of Materials and Interfaces, Weizmann Institute of Science
-
Guy Ohad
- Materials and Interfaces, Weizmann Institute for Science
- Department of Materials and Interfaces, Weizmann Institute of Science
-
Jonah Haber
- Physics, University of California at Berkeley
- Physics, University of California, Berkeley
- Department of Physics, University of California, Berkeley
- Department of Physics, University of California Berkeley
- University of California Berkeley
-
Marina Filip
- Physics, University of Oxford
- Department of Physics, University of Oxford
-
Stephen E Gant
- Physics, University of California, Berkeley
- Department of Physics, University of California Berkeley
-
Jeffrey Neaton
- Lawrence Berkeley National Laboratory
- Physics, University of California at Berkeley
- Physics, University of California, Berkeley
- University of California, Berkeley; Lawrence Berkeley National Lab; Kavli Energy NanoScience Institute at Berkeley
- Department of Physics, University of California Berkeley
- University of California, Berkeley
- Physics, University of California, Berkeley, and Materials Sciences Division, Lawrence Berkeley National Laboratory
- Molecular Foundry, Lawrence Berkeley National Laboratory
- University of California Berkeley
-
Leeor Kronik
- Materials and Interfaces, Weizmann Institute for Science
- Department of Materials and Interfaces, Weizmann Institute of Science
- Materials and Interfaces, Weizmann Institute of Science
- Weizmann Institute of Science
- Materials, Weizmann Institute of Science
-
-
Averaged cluster approach to including chemical short-range order in KKR-CPA
ORAL
–
Presenters
-
Vishnu Raghuraman
- Carnegie Mellon Univ
- Department of Physics, Carnegie Mellon University
Authors
-
Vishnu Raghuraman
- Carnegie Mellon Univ
- Department of Physics, Carnegie Mellon University
-
Yang Wang
- Carnegie Mellon University
- Pittsburgh Supercomput Ctr
- Pittsburgh Supercomputing Center
- Carnegie Mellon Univ
- Pittsburgh Supercomput Ctr, Carnegie Mellon University
-
Michael Widom
- Physics, Carnegie-Mellon University, Pittsburgh, PA 15213, USA
- Carnegie Mellon Univ
- Department of Physics, Carnegie Mellon University
-
-
Kerker mixing scheme for self-consistent muffin-tin based all-electron electronic structure calculations
ORAL
–
Presenters
-
Miriam Winkelmann
- Peter Grünberg Institute and Institute for Advance Simulation, Forschungszentrum Jülich and JARA
Authors
-
Miriam Winkelmann
- Peter Grünberg Institute and Institute for Advance Simulation, Forschungszentrum Jülich and JARA
-
Edoardo Di Napoli
- Jülich Supercomputing Centre and Institute for Advanced Simulation, Forschungszentrum Jülich and JARA-CSD
-
Daniel Wortmann
- Peter Grünberg Institute and Institute for Advance Simulation, Forschungszentrum Jülich and JARA
-
Rudolf Zeller
- Peter Grünberg Institute and Institute for Advance Simulation, Forschungszentrum Jülich and JARA
-
Stefan Bluegel
- Forschungszentrum Jülich
- Peter Grünberg Institute and Institute for Advance Simulation, Forschungszentrum Jülich and JARA
- Peter Grünberg Institut and Institute for Advanced Simulation, Forschungszentrum Juelich GmbH
- Peter Grünberg Institute (PGI-1), Forschungszentrum Jülich
- Peter Gruenberg Institut, Forschungszentrum Jülich
- Peter Grünberg Institut and Institute for Advanced Simulation, Forschungszentrum Jülich and JARA
-
-
Multiscale polarizable embedding of quasiparticle and electron-hole excitations from many-body Green’s functions (GW-BSE) with VOTCA-XTP
ORAL
–
Presenters
-
Gianluca Tirimbo
- Eindhoven University of Technology
Authors
-
Gianluca Tirimbo
- Eindhoven University of Technology
-
Björn Baumeier
- Eindhoven University of Technology
-
-
Effects of screening from electron-hole interactions on quasiparticle excitations within the <i>GW</i> approach
ORAL
–
Presenters
-
Meng Wu
- University of California at Berkeley and Lawrence Berkeley National Laboratory
- University of California, Berkeley
Authors
-
Meng Wu
- University of California at Berkeley and Lawrence Berkeley National Laboratory
- University of California, Berkeley
-
Zhenglu Li
- Department of Physics, University of California, Berkeley
- UC Berkeley & Lawrence Berkeley National Laboratory
- University of California at Berkeley, and Lawrence Berkeley National Laboratory
- University of California at Berkeley and Lawrence Berkeley National Laboratory
- Lawrence Berkeley National Laboratory
- University of California, Berkeley
- Lawrence Berkeley National Laboratory and University of California at Berkeley
- Department of physics, University of California at Berkeley, Berkeley, California
-
Steven G Louie
- University of California, Berkeley
- Department of Physics, University of California, Berkeley
- University of California at Berkeley and Lawrence Berkeley National Laboratory
- UC Berkeley & Lawrence Berkeley National Laboratory
- University of California at Berkeley, and Lawrence Berkeley National Laboratory
- Lawrence Berkeley National Laboratory
- Department of physics, University of California at Berkeley, Berkeley, California
-