CCBPP
10th Time-Dependent Density-Functional Theory: Prospects and Applications

Organizers:

H. Appel (MPI for the Structure and Dynamics of Matter, Hamburg), N. Tancogne-Dejean (MPI for the Structure and Dynamics of Matter, Hamburg), A. Castro (ARAID Foundation, Zaragoza), E. K. U. Gross (Hebrew University of Jerusalem), N. Maitra (Rutgers University at Newark), A. Rubio (MPI for the Structure and Dynamics of Matter, Hamburg)


Tuesday, April 08

08:15-08:45 Registration

08:45-09:00 Welcome
09:00-10:00 DFT and TDDFT 1
Hardy Gross
10:00-10:30 Coffee break
10:00-11:00 DFT and TDDFT 2
Hardy Gross
11:30-12:30 Introduction to Many-Body Theory I
Robert van Leeuwen
12:30-15:30 Lunch break
15:30-19:00 Hands-on session 1 - Octopus Basics

19:00-20:00 Buffet reception

Wednesday, April 09

09:00-10:00 DFT and TDDFT 3
Hardy Gross
10:00-11:00 DFT and TDDFT 4
Hardy Gross
11:00-11:30 Coffee break
11:30-12:30 Introduction to Many-Body Theory 2
Robert van Leeuwen
12:30-13:30 Memory-dependence in real-time TDDFT
Neepa Maitra
13:30-15:30 Lunch break
15:30-19:00 Hands-on session 2 - Optical Response


Thursday, April 10

09:00-10:00 Quantum control
Alberto Castro
10:00-11:00 Introduction to Many-Body Theory 3
Robert van Leeuwen
11:00-11:30 Coffee break
11:30-12:30 (TD)DFT: from the theory to practical numerical implementations
Nicolas Tancogne-Dejean
12:30-13:30 Memory-dependence in linear response TDDFT
Neepa Maitra
13:30-15:30 Lunch break
15:30-19:00 Hands-on session 3 - Periodic Systems


Friday, April 11

09:00-10:00 QED/QEDFT
Michael Ruggenthaler
10:00-11:00 Introduction to quantum optics
Heiko Appel
11:00-11:30 Coffee break
11:30-12:30 Light-matter coupling: from model systems to ab-initio Maxwell-TDDFT and beyond
Heiko Appel
12:30-13:30 Microscopic-macroscopic connection
Nicolas Tancogne-Dejean
13:30-15:30 Lunch break
15:30-19:00 Hands-on session 4 - Maxwell-TDDFT tutorials


Saturday, April 12

09:00-19:00 Outing

Sunday, April 13

09:00-10:00 Applications of TDDFT to Chemistry and Biochemistry
Shane Parker
10:00-11:00 Exciton dynamics/Noncolinear Magnetism
Carsten Ullrich
11:00-11:30 Coffee break
11:30-12:30 Linear and low-order non-linear response in TDDFT
David Strubbe
12:30-13:30 Practical calculations with the GW approximation and Bethe-Salpeter equation in BerkeleyGW
David Strubbe
13:30-15:30 Lunch break
15:30-19:00 Hands-on session 5 - BerkeleyGW/Sternheimer tutorials


Monday, April 14

08:00-08:45 Registration
08:45-09:00 Welcome
09:00-09:40 Excitations in DFT
Kieron Burke
09:40-10:20 Improving exchange-correlation potentials of standard density-functionals with the optimized-effective-potential method for higher accuracy of excitation energies
Andreas Goerling
10:20-11:00 Exchange-correlation approximations: Trying to get them accurate and efficient
Stephan Kümmel
11:00-11:30 Coffee break
11:30-12:10 Excitons in 2D materials: Field-driven time-dependent phenomena, nonlinear optical responses, and correlated ground state
Steven Louie
12:10-12:50 Combining many-body perturbation theory and time-dependent density functional theory: getting the best of both worlds
Lucia Reining
12:50-15:00 Lunch break
15:00-15:40 Accurate prediction of electronic and optical excitations in 3d and 2d materials from density functional theory
Leeor Kronik
15:40-16:20 Excitons in real-time
Sangeeta Sharma
16:20-17:00 Stability of the long-range corrected exchange-correlation functional in TDDFT
Carsten Ullrich
18:00-20:00 Poster session and Buffet Reception

Tuesday, April 15

09:00-09:40 TDDFT for extremely nonlinear light propagation
Kazuhiro Yabana
09:40-10:20 The gauge principle in density functional theory
Giovanni Vignale
10:20-11:00 Full minimal coupling Maxwell-TDDFT for self-consistent light-matter interactions beyond the dipole approximation
Franco Bonafe
11:00-11:30 Coffee break
11:30-12:10 Designing Photon-Mediated Many-Body interactions in Cavity-Material Systems
Simone Latini
12:10-12:50 Electron-Photon Exchange-Correlation Approximation for QEDFT and its Recent Developments and Applications for Solid-Sates Materials
I-Te Lu
12:50-15:00 Lunch break
15:00-15:40 Polaritonic chemistry: The relevance of cavity-modified electron correlations
Dominik Sidler
15:40-16:20 (Non)linear properties on a budget: the semiempirical TDDFT-ris method
Shane Parker
16:20-17:00 Poster prize session

19:00-00:00 Social dinner

Wednesday, April 16

09:00-09:40 Fundamental aspects of lattice density functional theory
Robert van Leeuwen
09:40-10:20 On the ab-initioness of some ab-initio equations: The case of phonon lifetimes, coherent phonons and exciton populations
Gianluca Stefanucci
10:20-11:00 Steady-State Density Functional Theory for Many-Body Spectral Functions
Stefan Kurth
11:00-11:30 Coffee break
11:30-12:10 Adiabaticity and quantum geometry in DFT
Raffaele Resta
12:10-12:50 Ensemble density-functional theory in real space: towards periodic calculations, and benchmarks on small molecules
David Strubbe
12:50-15:00 Lunch break
15:00-15:40 Some surprises and puzzles in the TDDFT description of irradiation of molecules
Eric Suraud
15:40-16:20 Quantum computing algorithms and applications in physics, chemistry and material science
Ivano Tavernelli
16:20-16:30 Concluding remarks