Centro de Ciencias de Benasque Pedro Pascual

Centro de Ciencias de Benasque Pedro Pascual

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8th Time-Dependent Density-Functional Theory: Prospects and Applications

2018, Aug 19 -- Aug 31

Organizers:
A. Castro (ARAID Foundation)
E. K. U. Gross (MPI for Microstructure theory, Halle)
N. Maitra (City U. of New York)
Miguel A. L. Marques (Halle Universitario, Germany)
A. Rubio (MPI for the Structure and Dynamics of Matter, Hamburg)

Download pdf version of the program here.



Monday, August 20
  • 09:00h
  • DFT and TDDFT 1
     Hardy Gross
  • 10:00h
  • DFT and TDDFT 2
     Hardy Gross
  • 11:30h
  • Introduction to Many-Body Theory 1
     Robert van Leeuwen
  • 12:30h
  • Introduction to Many-Body Theory 2
     Robert van Leeuwen
  • 15:30h
  • PRACTICAL SESSION 1
     

    Tuesday, August 21
    • 09:00h
    • DFT and TDDFT 3
       Hardy Gross
    • 10:00h
    • DFT and TDDFT 4
       Hardy Gross
    • 11:30h
    • Introduction to Many-Body Theory 3
       Robert van Leeuwen
    • 12:30h
    • Linear and non-linear response in TDDFT
       David Strubbe
    • 15:30h
    • PRACTICAL SESSION 2
       

      Wednesday, August 22
      • 15:30h
      • PRACTICAL SESSION 3
         

        Thursday, August 23
        • 09:00h
        • Microscopic-macroscopic connection
           Nicolas Tancogne-Dejean
        • 10:00h
        • Practical calculations with the GW approximation and Bethe-Salpeter equation in BerkeleyGW
           David Strubbe
        • 11:30h
        • Applications of TDDFT to Chemistry and Biochemistry I
           Joaquim Jornet Somoza
        • 12:30h
        • The molecular Berry phase
           Ryan Requist
        • 15:30h
        • PRACTICAL SESSION 4
           
        • 19:00h
        • POSTER SESSION
           

          Friday, August 24
          • 09:00h
          • Computational electron dynamics
             Xavier Andrade
          • 10:00h
          • Calculation of the macroscopic polarization of solids from a geometric phase
             Ryan Requist
          • 11:30h
          • Applications of TDDFT to Chemistry and Biochemistry II
             Joaquim Jornet Somoza
          • 12:30h
          • Topological invariants and topological insulators
             Ryan Requist
          • 15:30h
          • PRACTICAL SESSION 5
             

            Saturday, August 25

              Sunday, August 26
              • 09:00h
              • TDDFT for extended systems I: plasmons
                 Carsten Ullrich
              • 10:00h
              • More Many-Body Theory I
                 Ilya Tokatly
              • 11:30h
              • More Many-Body Theory II
                 Ilya Tokatly
              • 12:30h
              • Applications of TDDFT to Chemistry and Biochemistry III
                 Ivano Tavernelli
              • 15:30h
              • PRACTICAL SESSION 6
                 

                Monday, August 27
                • 09:00h
                • Applications of TDDFT to Chemistry and Biochemistry IV
                   Ivano Tavernelli
                • 10:00h
                • TDDFT for extended systems II: excitons
                   Carsten Ullrich
                • 11:30h
                • More Many-Body Theory III
                   Ilya Tokatly
                • 12:30h
                • Applications of TDDFT to Chemistry and Biochemistry V
                   Ivano Tavernelli

                  Tuesday, August 28
                  • 09:30h
                  • Conserving approximations in cavity quantum electrodynamics
                     Ilya Tokatly
                  • 10:10h
                  • (TD)DFT for systems with noncollinear spin: orbital-dependent xc functionals and their application to the magnetized Hubbard dimer
                     Carsten Ullrich
                  • 11:20h
                  • Quantum computing for quantum chemistry and physics
                     Ivano Tavernelli
                  • 12:00h
                  • Density-functional perturbation theory for excited states from constrained DFT
                     David Strubbe
                  • 12:40h
                  • CANCELED
                     
                  • 15:00h
                  • Dynamical correlations beyond TDDFT: time-dependent two-particle density matrix theory
                     Joachim Burgdörfer
                  • 15:40h
                  • Improved Methods for Simulating Optical Spectroscopy of Dyes in Solution
                     Christine Isborn
                  • 16:20h
                  • Many-Body Spectral Functions from Steady-State Density Functional Theory
                     Stefan Kurth
                  • 17:20h
                  • Scartronics: Quantum transport through chaos
                     Esa Räsänen
                  • 18:00h
                  • High-harmonic generation from solids and two-dimensional materials
                     Nicolas Tancogne-Dejean

                    Wednesday, August 29
                    • 15:30h
                    • Applications of TDDFT in attosecond physics
                       Shunsuke Sato
                    • 16:10h
                    • Time evolution of the natural occupation numbers
                       Carlos Benavides
                    • 16:50h
                    • Coherent dynamics and dephasing-induced ultrafast charge transfer in van der Waals heterostructures
                       Junhyeok Bang
                    • 17:40h
                    • Many-Body Effective Energy Theory: photoemission at strong correlation
                       Pina Romaniello
                    • 18:20h
                    • On the inclusion of dissipative effects in clusters and molecules
                       Eric Suraud
                    • 19:00h
                    • Optical spectra from first principles: fundamentals, functionals and numerics
                       Arjan Berger
                    • 19:30h
                    • POSTER SESSION
                       

                      Thursday, August 30
                      • 09:30h
                      • Optical nonlinear processes in semiconductors: an ab-initio description
                         Valerie Veniard
                      • 10:10h
                      • Exact factorization + TDDFT: performance of adiabatic functionals
                         Ryan Requist
                      • 11:20h
                      • Stochastic Methods in Electronic Structure of Large Systems
                         Roi Baer
                      • 12:00h
                      • Tuning the electronic structure of 2d materials via defect engineering and twisting
                         Johannes Lischner
                      • 12:40h
                      • Ab initio model for plasmonic hot electrons
                         Lara Román Castellanos
                      • 15:00h
                      • Charge states and time scales of electron-ion dynamics due to electronic stopping
                         Andre Schleife
                      • 15:40h
                      • Unified formulation of the fundamental and optical gap problems in density-functional theory for ensembles
                         Emmanuel Fromager
                      • 16:20h
                      • Propagators for the time-dependent Kohn-Sham equations: multistep, Runge-Kutta, exponential Runge-Kutta, and commutator free Magnus methods
                         Adrián Gómez Pueyo
                      • 17:20h
                      • PySCF-NAO: an efficient and flexible implementation of linear response time-dependent density functional theory with numerical atomic orbitals
                         Peter Koval
                      • 17:50h
                      • First-principles study of anomalous thermoelectric effects
                         Fumiyuki Ishii

                        This session has received financial support from the following institutions:

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

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