Centro de Ciencias de Benasque Pedro Pascual

Centro de Ciencias de Benasque Pedro Pascual

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9th Time-Dependent Density-Functional Theory: Prospects and Applications

2022, Oct 18 -- Oct 28

Organizers:
A. Castro (ARAID Foundation)
E. K. U. Gross (Hebrew University of Jerusalem)
N. Maitra (Rutgers University at Newark)
M. A. L. Marques (Halle Universitario, Germany)
A. Rubio (MPI for the Structure and Dynamics of Matter, Hamburg)

School Program


Wednesday, October 19
  • 09:00-10:00
  • DFT and TDDFT 1
     Hardy Gross
  • 10:00-11:00
  • DFT and TDDFT 2
     Hardy Gross
  • 11:30-12:30
  • Introduction to Many-Body Theory I
     Robert van Leeuwen
  • 12:30-13:30
  • (TD)DFT: from the theory to practical numerical implementations
     Nicolas Tancogne-Dejean
  • 15:30-19:00
  • Hands-on session 1
     
  • (TD)DFT: From the theory to practical numerical implementations
     Nicolas Tancogne-Dejean

    Thursday, October 20
    • 09:00-10:00
    • DFT and TDDFT 3
       Hardy Gross
    • 10:00-11:00
    • DFT and TDDFT 4
       Hardy Gross
    • 11:30-12:30
    • Introduction to Many-Body Theory 2
       Robert van Leeuwen
    • 12:30-13:30
    • Introduction to Many-Body Theory 3
       Robert van Leeuwen
    • 15:30-19:00
    • Hands-on session 2
       
    • Introduction to Octopus: Optical properties of finite systems
       Nicolas Tancogne-Dejean

      Friday, October 21
      • 09:00-10:00
      • Memory-dependence in real-time TDDFT
         Neepa Maitra
      • 10:00-11:00
      • Memory-dependence in linear response TDDFT
         Neepa Maitra
      • 11:30-12:30
      • Microscopic-macroscopic connection
         Nicolas Tancogne-Dejean
      • 12:30-13:30
      • Quantum control
         Alberto Castro
      • 15:30-19:00
      • Hands-on session 3
         
      • Introduction to Octopus: periodic systems
         Nicolas Tancogne-Dejean

        Saturday, October 22

          Sunday, October 23
          • 09:00-10:00
          • More Many-Body Theory 1
             Ilya Tokatly
          • 10:00-11:00
          • Applications of TDDFT to Chemistry and Biochemistry
             Shane Parker
          • 11:30-12:30
          • Real-time TDDFT for extremely nonlinear and ultrafast phenomena
             Shunsuke Sato
          • 15:30-19:00
          • Hands-on session 4
             

            Monday, October 24
            • 09:00-10:00
            • Linear and low-order non-linear response in TDDFT
               David Strubbe
            • 10:00-11:00
            • Applications of TDDFT to Chemistry and Biochemistry
               Shane Parker
            • 11:30-12:30
            • More Many-Body Theory 2
               Ilya Tokatly
            • 12:30-13:30
            • Practical calculations with the GW approximation and Bethe-Salpeter equation in BerkeleyGW
               David Strubbe
            • 15:30-19:00
            • Hands-on session 5
               
            • Introduction to Octopus: Maxwell systems
               H. Appel - F. Bonafe
                BerkeleyGW tutorial
               David A. Strubbe
                Practical BSE Calculations with BerkeleyGW + Octopus
               David A. Strubbe


              Workshop Program


              Tuesday, October 25
              • 08:30-09:00
              • Registration
                 
              • 09:00-09:40
              • Fundamental aspects of (TD)DFT on lattices
                 Robert van Leeuwen
              • 09:40-10:20
              • Back to the ground-state: Correlation energy from the Adiabatic-connection Fluctuation-Dissipation theory
                 Nicola Colonna
              • 10:20-11:00
              • A minimum auxiliary TDDFT method for fast spectra
                 Shane Parker
              • 11:30-12:10
              • Dissipation in TDDFT via quantum electrodynanamical optimized effective potential
                 Ilya Tokatly
              • 12:10-12:50
              • Unexpected behaviors of small molecules after ultrafast XUV irradiation
                 Eric Suraud
              • 12:50-13:30
              • Ground and excited states of open-shell molecules and defects from a spin-flip Bethe-Salpeter approach
                 David Strubbe
              • 15:30-16:10
              • Accurate Solid-State Electronic and Optical Excitations from Optimally-Tuned Screened Range-Separated Hybrid Density functionals
                 Leeor Kronik
              • 16:10-16:50
              • Accurate charged and neutral excitations with Koopmans functionals
                 Edward Linscott
              • 16:50-17:20
              • Coffee break
                 
              • 17:20-18:00
              • Exciton time propagation in materials: an interaction picture
                 Sivan Refaely-Abramson
              • 18:00-18:40
              • Energy, momentum, and angular momentum transfer between electrons and nuclei in a density functional framework
                 Ryan Requist

                Wednesday, October 26
                • 09:00-09:40
                • TDDFT for extreme optics: nonlinearity and nonlocality
                   Kazuhiro Yabana
                • 09:40-10:20
                • On the use of real-time impulse response in non-linear optics
                   Carlo Rozzi
                • 10:20-11:00
                • Application of TDDFT to recent attosecond experiments
                   Shunsuke Sato
                • 11:30-12:10
                • Magnons from real-space real-time time-dependent density functional theory
                   Nicolas Tancogne-Dejean
                • 12:10-12:50
                • Charge and spin dynamics in 2d and 3d materials
                   Peter Elliot
                • 12:50-13:30
                • Floquet analysis of excitations in solids
                   Hannes Hübener
                • 15:30-16:10
                • Excited state forces from GW/BSE and DFPT calculations
                   Rafael Del Grande
                • 16:10-16:50
                • Pole expansions and nonadiabatic dynamics in time-dependent density functional theory
                   Dimitry Gulevich
                • 16:50-17:05
                • Poster prize: Relativistic TDDFT allows prediction and interpretation of XAS spectra near heavy metal L- and M-edges
                   Lukas Konecny
                • 17:05-17:20
                • Poster prize: Structuring Light using Archimedean Spirals: A Real-Space Real-Time Study
                   Esra Ilke Albar
                • 17:20-17:35
                • Poster prize: Ab initio Study of Ultrafast Demagnetization in FePt
                   Mrudul Muraleedharan
                • 17:35-17:50
                • Poster prize: Multielectron back-reaction in high-order harmonic generation
                   Alba de las Heras

                  Thursday, October 27
                  • 15:40-16:20
                  • The influence of trajectories and pseudization on first-principles calculations of electronic stopping in warm dense matte
                     Alina Kononov
                  • 16:20-17:00
                  • Mott Metal-Insulator Transition from Steady-State Density Functional Theory
                     Stefan Kurth
                  • 17:30-18:10
                  • Conditional probability density functional theory
                     Ryan Pederson
                  • 18:10-18:50
                  • Exploring vibronically assisted ultrafast relaxation in a functionalized porphyrin with TDDFT and normal modes analysis
                     Pavel Rukin
                  • 18:50-19:30
                  • Effect of phonon scattering on exciton dynamics in solid pentacene
                     Galit Cohen

                    The CCBPP has received financial support for the organization of scientific meetings from the following institutions:

                    • Ministerio de ciencia, innovación y universidades
                    • Gobierno de Aragón
                    • logo CSIC
                    • DPH
                    • Universidad de Zaragoza
                    • Ayuntamiento de Benasque

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