Perspectives of many-particle methods · Many-body perturbation methods, coupled cluster theory...
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Conference Organisers Thomas Frauenheim University of Bremen BCCMS www.bccms.uni-bremen.de Tim Wehling University of Bremen Institute of Theoretical Physics www.itp.uni-bremen.de Thorsten Klüner University of Oldenburg Theoretical Chemistry www.uni-oldenburg.de Johannes Lischner University of California at Berkeley Department of Physics http://civet.berkeley.edu Andreas Savin Sorbonne University CNRS and UPMC http://www.bccms.uni-bremen.de/veranstaltungen/2015/cecam_mbpm Perspectives of many-particle methods: total energy, spectroscopy and time-dependent dynamics 2 0 1 5 Tuesday, April 21st 2015 (House of Science Bremen/Downtown) 08:00 08:50 Session: - - 08:50 09:00 Registration Opening and welcome, Thomas Frauenheim Time-dependent DFT 09:00 - 09:40 Oleg Prezhdo, University of Southern California, Los Angeles (US) Excited state dynamics in nanomaterials for solar energy applications 09:40 - 10:20 Sheng Meng, Chinese Academy of Sciences, Beijing (China) Real-time large scale TDDFT simulations on interface electron-ion dynamics 10:20 11:00 - - 11:00 11:30 Johannes Lischner, Imperial College London (UK) First-principles theory of electron-spin fluctuation interactions in materials Coffee Break 11:30 - 12:10 Mark E. Casida, Joseph Fourier University, Grenoble (France) Challenge of time-dependent density- functional theory for photochemistry 12:10 12:50 Session: - - 12:50 14:30 Thomas Niehaus, University of Regensburg (Germany) The budget way to quasiparticle energies Lunch Break (Restaurant StadtWirt) and Coffee Many-body perturbation methods, coupled cluster theory 14:30 - 15:10 Frank Neese, Max Planck Institute, Muelheim a. d. Ruhr (Germany) Progress in the design of accurate, efficient and robust linear scaling wave function methods for routine computational chemistry applications 15:10 - 15:50 Andreas Koehn, University of Stuttgart (Germany) Applications of internally contracted multi- reference Coupled-Cluster theory 15:50 16:20 - - 16:20 17:00 Coffee Break Feliciano Giustino, University of Oxford (UK) The Sternheimer-WG method and the band structure of plasmonic polarons 19:00 - 21:30 Welcome Reception (Bremen Town Hall) Wednesday, April 22nd 2015 (House of Science Bremen/Downtown) Session: Many-body perturbation and coupled cluster theory (continued) 08:30 - 09:10 Christian Ochsenfeld, Ludwig Maximilians University Munich (Germany) Linear-scaling methods for describing electron correlation effects in large systems 09:10 Sesson: 09:50 - - 09:50 10:30 Johannes Neugebauer, University of Muenster (Germany) Accurate embedding methods for excited states DFT - hybrid many-body theory Georg Kresse, University of Vienna (Austria) Cubic scaling algorithm for the random phase approximation: applications to large systems 10:30 11:00 - - 11:00 11:40 Coffee Break Matthias Ernzerhof, University of Montréal (Canada) Approximations to the exchange-correlation energy in terms of models for the exchange- correlation hole 11:40 12:20 Sesson: 14:00 14:40 - - - - 12:20 14:00 14:40 15:20 Martin P. Head-Gordon, University of California, Berkeley (US) Treating strongly correlated molecules with spin-flip complete active space methods Lunch Break (Restaurant StadtWirt) and Coffee DFT - hybrid many-body-theory (continued) Weitao Yang, Duke University, North Carolina, Durham, (US) Exchange-correlation and electronic excitation energies from pairing matrix fluctuations and pp-RPA Stefan Grimme, University of Bonn (Germany) Simplified DFT methods for consistent structures and energies of large systems 15:20 16:00 Sesson: 16:30 - - - 16:00 16:30 17:10 Andreas Goerling, University of Erlangen Nuremberg (Germany) Density-functional methods based on the adiabatic connection fluctuation dissipation theorem Coffee Break Strong correlations / DFT+DMFT/ embedding (I) Peter Bloechl, Clausthal University of Technology (Germany) Density-Matrix functionals from Green´s functions and many-particle wave functions 19:00 - 22:30 Conference Dinner (Juergenshof) Thursday, April 23rd 2015 (House of Science Bremen/Downtown) Session: Strong correlations / DFT+DMFT/ embedding (I, continued) 08:30 - 09:10 Dominika Zgid, University of Michigan, Ann Arbor (US) 09:10 - 09:50 Systematically improvable multi-scale for correlated electron systems Garnet Chan, Princeton University, New Jersey (US) Realistic materials via quantum embedding and other techniques 09:50 10:30 Sesson: 11:00 - - - 10:30 11:00 11:40 George Booth, University of Cambridge (UK) Dynamic correlation functions in the solid state Coffee Break Strong correlations / DFT+DMFT/ embedding (II) Troy Van Voorhis, Massachusetts Institute of Technology, Cambridge (US) Bootstrap embedding: a new strategy for QM/QM embedding 11:40 - 12:20 Karsten Held, Vienna University of Technology (Austria) Electronic correlations beyond Dynamical Mean-Field Theory 12:20 13:00 - - 13:00 14:30 Guan Hua Chen, University of Hong Kong (China) TD-DFT for quantum transport and beyond Lunch Break (Restaurant StadtWirt) and Coffee 14:30 15:10 15:50 - - - 15:10 15:50 16:30 Carsten Honerkamp, RWTH Aachen University (Germany) Low-energy effective interactions beyond cRPA by the functional renormalization group Frank Lechermann, University of Hamburg (Germany) From usual suspects towards Mott design in strongly correlated materials theory Ivan Leonov, University of Augsburg (Germany) Structural stability and lattice dynamics of correlated electron materials 18:00 - 21:00 Poster Session and Catering Buffet Friday, April 24th 2015 (House of Science Bremen/Downtown) Session: GW and beyond 09:00 - 09:40 Lucia Reining, École Polytechnique, Palaiseau (France) A direct approach to the calculation of many-body Green‘ s functions: theoretical spectroscopy beyond quasiparticles 09:40 10:20 - - 10:20 10:50 Friedhelm Bechstedt, University of Jena (Germany) Quasiparticle and pair excitations: influence of dynamical screening, free carriers and defects Coffee Break 10:50 - 11:30 Michael Rohlfing, University of Muenster (Germany) 11:30 12:10 - - 12:10 12:20 Optical spectra of carbon nanotubes and layered materials within many-body perturbation theory Alexander Steinhoff, University of Bremen (Germany) Influence of excited carriers on the optical and electronic properties of MoS2: absorption and photoluminescence Closing words, Departure
Transcript of Perspectives of many-particle methods · Many-body perturbation methods, coupled cluster theory...
Conference Organisers
Thomas Frauenheim University of Bremen BCCMS www.bccms.uni-bremen.de
Tim Wehling University of Bremen Institute of Theoretical Physics www.itp.uni-bremen.de
Thorsten Klüner University of Oldenburg Theoretical Chemistry www.uni-oldenburg.de
Johannes Lischner University of California at Berkeley Department of Physics http://civet.berkeley.edu
Andreas Savin Sorbonne University CNRS and UPMC
http://www.bccms.uni-bremen.de/veranstaltungen/2015/cecam_mbpm
Perspectives of many-particle methods:total energy, spectroscopy and time-dependent dynamics 2 0 1 5
Tuesday, April 21st 2015 (House of Science Bremen/Downtown)
08:00
08:50
Session:
-
-
08:50
09:00
Registration
Opening and welcome, Thomas Frauenheim
Time-dependent DFT
09:00 - 09:40 Oleg Prezhdo, University of Southern California, Los Angeles (US) Excited state dynamics in nanomaterials for solar energy applications
09:40 - 10:20 Sheng Meng, Chinese Academy of Sciences, Beijing (China) Real-time large scale TDDFT simulations on interface electron-ion dynamics
10:20
11:00
-
-
11:00
11:30
Johannes Lischner, Imperial College London (UK) First-principles theory of electron-spin fluctuation interactions in materials
Coffee Break
11:30 - 12:10 Mark E. Casida, Joseph Fourier University, Grenoble (France)Challenge of time-dependent density- functional theory for photochemistry
12:10
12:50
Session:
-
-
12:50
14:30
Thomas Niehaus, University of Regensburg (Germany)
The budget way to quasiparticle energies
Lunch Break (Restaurant StadtWirt) and Coffee
Many-body perturbation methods, coupled cluster theory
14:30 - 15:10 Frank Neese, Max Planck Institute, Muelheim a. d. Ruhr (Germany)
Progress in the design of accurate, efficient and robust linear scaling wave function methods for routine computational chemistry applications
15:10 - 15:50 Andreas Koehn, University of Stuttgart (Germany)
Applications of internally contracted multi-reference Coupled-Cluster theory
15:50
16:20
-
-
16:20
17:00
Coffee Break
Feliciano Giustino, University of Oxford (UK)The Sternheimer-WG method and the band structure of plasmonic polarons
19:00
-
21:30
Welcome Reception (Bremen Town Hall)
Wednesday, April 22nd 2015 (House of Science Bremen/Downtown)
Session: Many-body perturbation and coupled cluster theory (continued)
08:30 - 09:10 Christian Ochsenfeld, Ludwig Maximilians University Munich (Germany)
Linear-scaling methods for describing electron correlation effects in large systems
09:10
Sesson:
09:50
-
-
09:50
10:30
Johannes Neugebauer, University of Muenster (Germany)
Accurate embedding methods for excited states
DFT - hybrid many-body theory
Georg Kresse, University of Vienna (Austria)Cubic scaling algorithm for the random phase approximation: applications to large systems
10:30
11:00
-
-
11:00
11:40
Coffee Break
Matthias Ernzerhof, University of Montréal (Canada)Approximations to the exchange-correlation energy in terms of models for the exchange-correlation hole
11:40
12:20
Sesson:
14:00
14:40
-
-
-
-
12:20
14:00
14:40
15:20
Martin P. Head-Gordon, University of California, Berkeley (US)Treating strongly correlated molecules with spin-flip complete active space methods
Lunch Break (Restaurant StadtWirt) and Coffee
DFT - hybrid many-body-theory (continued)
Weitao Yang, Duke University, North Carolina, Durham, (US)
Exchange-correlation and electronic excitation energies from pairing matrix fluctuations and pp-RPA
Stefan Grimme, University of Bonn (Germany) Simplified DFT methods for consistent structures and energies of large systems
15:20
16:00Sesson:
16:30
-
-
-
16:00
16:30
17:10
Andreas Goerling, University of Erlangen Nuremberg (Germany)
Density-functional methods based on the adiabatic connection fluctuation dissipation theorem
Coffee BreakStrong correlations / DFT+DMFT/ embedding (I)
Peter Bloechl, Clausthal University of Technology (Germany)
Density-Matrix functionals from Green´s functions and many-particle wave functions
19:00 - 22:30 Conference Dinner (Juergenshof)
Thursday, April 23rd 2015 (House of Science Bremen/Downtown)
Session: Strong correlations / DFT+DMFT/ embedding (I, continued)
08:30 - 09:10 Dominika Zgid, University of Michigan, Ann Arbor (US)
09:10 - 09:50
Systematically improvable multi-scale for correlated electron systems
Garnet Chan, Princeton University, New Jersey (US)
Realistic materials via quantum embedding and other techniques
09:50
10:30
Sesson:
11:00
-
-
-
10:30
11:00
11:40
George Booth, University of Cambridge (UK)Dynamic correlation functions in the solid state
Coffee Break
Strong correlations / DFT+DMFT/ embedding (II)
Troy Van Voorhis, Massachusetts Institute of Technology, Cambridge (US)
Bootstrap embedding: a new strategy for QM/QM embedding
11:40 - 12:20 Karsten Held, Vienna University of Technology (Austria)
Electronic correlations beyond Dynamical Mean-Field Theory
12:20
13:00
-
-
13:00
14:30
Guan Hua Chen, University of Hong Kong (China)
TD-DFT for quantum transport and beyond
Lunch Break (Restaurant StadtWirt) and Coffee
14:30
15:10
15:50
-
-
-
15:10
15:50
16:30
Carsten Honerkamp, RWTH Aachen University (Germany)
Low-energy effective interactions beyond cRPA by the functional renormalization group
Frank Lechermann, University of Hamburg (Germany)From usual suspects towards Mott design in strongly correlated materials theory
Ivan Leonov, University of Augsburg (Germany)
Structural stability and lattice dynamics of correlated electron materials
18:00
-
21:00
Poster Session and Catering Buffet
Friday, April 24th 2015 (House of Science Bremen/Downtown)
Session: GW and beyond
09:00 - 09:40 Lucia Reining, École Polytechnique, Palaiseau (France)
A direct approach to the calculation of many-body Green‘ s functions: theoretical spectroscopy beyond quasiparticles
09:40
10:20
-
-
10:20
10:50
Friedhelm Bechstedt, University of Jena (Germany)
Quasiparticle and pair excitations: influence of dynamical screening, free carriers and defects
Coffee Break
10:50 - 11:30 Michael Rohlfing, University of Muenster (Germany)
11:30
12:10
-
-
12:10
12:20
Optical spectra of carbon nanotubes and layered materials within many-body perturbation theory
Alexander Steinhoff, University of Bremen (Germany)
Influence of excited carriers on the optical and electronic properties of MoS2: absorption and photoluminescence
Closing words, Departure
