Centro de Ciencias de Benasque Pedro Pascual

Centro de Ciencias de Benasque Pedro Pascual

Session image

6th Time-Dependent Density-Functional Theory: Prospects and Applications

2014, Jan 04 -- Jan 18

Organizers:
A. Castro (U. Zaragoza)
E. K. U. Gross (MPI for Microstructure theory, Halle)
N. Maitra (City U. of New York)
M. A. L. Marques (U. Lyon I)
F. Nogueira (U. Coimbra and CFC)
A. Rubio (U. Pais Vasco)

Sunday, January 05
  • 09:30h
  • DFT I
     Kieron Burke
  • 10:30h
  • DFT II
     Kieron Burke

  • DFT quiz
     
  • 11:30h
  • TDDFT I
     E. K. U. Gross
  • 12:30h
  • TDDFT II
     E. K. U. Gross
  • 15:30h
  • Introduction to coding for electronic structure modeling
     

    Monday, January 06
    • 09:30h
    • DFT III
       Kieron Burke
    • 10:30h
    • TDDFT III
       E. K. U. Gross
    • 11:30h
    • Introduction to Many Body Theory I
       Robert van Leeuewn
    • 12:30h
    • Introduction to Many Body Theory II
       Robert van Leeuwen
    • 15:30h
    • Introduction to coding for electronic structure modeling
       

      Tuesday, January 07
      • 09:30h
      • DFT IV
         Kieron Burke
      • 10:30h
      • Introduction to Many Body Theory III
         Robert van Leeuwen
      • 11:30h
      • TDDFT Advanced Topics I
         Neepa Maitra
      • 12:30h
      • TDDFT Advanced Topics II
         Neepa Maitra
      • 15:30h
      • Tutorial: octopus code
         

        Wednesday, January 08
        • 15:30h
        •  Tutorial: octopus code

          Thursday, January 09
          • 09:30h
          • Non-linear response in TDDFT
             David Strubbe
          • 10:30h
          • Q&A session - TDDFT
             Hardy, Kieron, Robert, Neepa
          • 11:30h
          • Q&A session - TDDFT
             Hardy, Kieron, Robert, Neepa
          • 12:30h
          • Q&A session - TDDFT
             Hardy, Kieron, Robert, Neepa
          • 15:30h
          • Practical: octopus
             

            Friday, January 10
            • 15:30h
            • GW I
               Matteo Gatti
            • 16:30h
            • GW II
               Matteo Gatti
            • 17:30h
            • TDDFT for Chemists I
               Ivano Tavernelli
            • 18:30h
            • TDDFT for Chemists II
               Ivano Tavernelli

              Saturday, January 11
              • 09:30h
              • Bethe-Salpeter I
                 Ilya Tokatly
              • 10:30h
              • Bethe-Salpeter II
                 Ilya Tokatly
              • 11:30h
              • TDDFT + Molecular Dynamics I
                 Ivano Tavernelli
              • 12:30h
              • Spectroscopy from an experimentalist's viewpoint I
                 Simo Huotari
              • 15:30h
              • Tutorial: BerkeleyGW
                 

                Sunday, January 12
                • 09:30h
                • TDDFT + Molecular Dynamics II
                   Ivano Tavernelli
                • 10:30h
                • Spectroscopy from an experimentalist's viewpoint II
                   Simo Huotari
                • 11:30h
                • Nonperturbative quantum dynamics I
                   Manfred Lein
                • 12:30h
                • Q&A session MBPT
                   
                • 15:30h
                • Tutorial: BerkeleyGW
                   

                  Monday, January 13
                  • 09:30h
                  • Non perturbative quantum dynamics II
                     Manfred Lein
                  • 10:30h
                  • Molecular Electronics I
                     Stefan Kurth
                  • 11:30h
                  • Molecular Electronics II
                     Stefan Kurth
                  • 12:30h
                  • Open session about challenges and standing problems
                     Angel Rubio

                    Tuesday, January 14
                    • CHAIR: Ángel Rubio
                       
                    • 09:45h
                    • Real-time spin dynamics in TDDFT
                       Stefano Sanvito
                    • 10:15h
                    • Electronic properties of artificial graphene
                       Esa Räsänen
                    • 10:45h
                    • Time-resolved spectroscopies for atoms and molecules with TDDFT
                       Umberto de Giovanninni
                    • 12:00h
                    • Coupled electron-nuclear dynamics beyond the Born-Oppenheimer approximation
                       Hardy Gross
                    • 12:30h
                    • On non-collinear gradient expansions and their generalizations in spin-density-functional theory
                       Stefano Pittalis

                    • CHAIR: Christoph Lienau
                       
                    • 15:30h
                    • Ultrafast dynamics of exciton formation and relaxation at the ZnO(10-10) surface
                       Julia Stähler
                    • 16:00h
                    • Charge-to-current conversion in artificial light harvesting systems and organic solar cells: Ultrafast spectroscopy and TDDFT simulations
                       Antonietta de Sio
                    • 17:00h
                    • Probing magnetic phenomena of single molecules on metal and superconducting surfaces
                       Nacho Pascual
                    • 17:30h
                    • Inelastic x-ray scattering: recent applications
                       Simo Huotari
                    • 18:00h
                    • Dye Sensitized Solar Cell Progress
                       Toby Meyer
                    • 18:30h
                    • POSTER SESSION
                       

                      Wednesday, January 15
                      • CHAIR: Alberto Castro
                         
                      • 16:00h
                      • TDDFT for many-body systems driven by a quantized electro-magnetic field
                         Ilya Tokatly
                      • 16:30h
                      • Real-time evolution of correlated photon-electron wavefunctions in quantum electrodynamics
                         Heiko Appel
                      • 17:00h
                      • Poster Prize Talk: Real-time propagations for correlated systems in Fock space
                         Johannes Flick
                      • 17:45h
                      • TBA
                         Garnet Chan
                      • 18:15h
                      • Excited-state forces in TDDFT and the Bethe-Salpeter equation
                         David Strubbe
                      • 18:45h
                      • Tuning the photophysics of biological chromophores
                         Marius Wanko

                        Thursday, January 16
                        • CHAIR: Neepa Maitra
                           
                        • 09:30h
                        • Dynamical exchange-correlation corrections to transport
                           Stefan Kurth
                        • 10:00h
                        • Ultra-nonlocality in density-functional theory for photo- emission spectroscopy
                           Robert van Leeuwen
                        • 10:30h
                        • First-principles calculations of spectral functions: spin multiplets, plasmon satellites, and spin fluctuations
                           Johannes Lischner
                        • 11:45h
                        • Stochastic methods for gentle scaling of electronic structure methods with acronyms we love and trust (DFT, MP2, RPA, GW)
                           Roi Baer
                        • 12:15h
                        • Time-dependent natural orbital theory applied to worst-case TDDFT problems”
                           Dieter Bauer
                        • 12:45h
                        • Dissipative effects in quantum time dependent mean field
                           Eric Suraud

                        • CHAIR: Fernando Nogueira
                           
                        • 16:00h
                        • Poster Prize Talk: Non-Adiabatic dynamics with the conditional wave functions
                           Guillermo Albareda
                        • 16:20h
                        • Poster Pize Talk: Exact electronic and nuclear time-dependent potential energy surface for attosecond electron localization in the dissociation H2+
                           Yasumitsu Suzuki
                        • 16:40h
                        • Time-dependent DFT and time-dependent tight-binding: Opportunities and Challenges
                           Mathias Nest
                        • 17:10h
                        • Electronic structure methods based on the adiabatic- connection fluctuation-dissipation theorem
                           Andreas Görling

                          Friday, January 17
                          • CHAIR: Hardy Gross
                             
                          • 09:00h
                          • Materials design using real-time TDDFT: from clusters to proteins
                             Micael Oliveira
                          • 09:30h
                          • Poster Prize Talk: Atomistic approach for the field enhancement in quantum plasmonics nanostructures
                             Tuomas Rossi
                          • 10:30h
                          • Frenkel versus charge-transfer exciton dispersion in molecular crystals
                             Pierluigi Cudazzo
                          • 11:00h
                          • Dressed TDA-TDDFT approach to doubly-excited configurations
                             Grzegorz Mazur
                          • 11:30h
                          • Closing Remarks and next Benasque meeting in 2016
                             The Organisers

                            This session has received financial support from the following institutions:

                            • logo CSIC
                            • Ministerio de educación y ciencia
                            • Ayuntamiento de Benasque
                            • Gobierno de Aragón
                            • Universidad de Zaragoza

                            links

                            Our building

                            • Future building