Benasque 2014: Time-Dependent Density-Functional Theory: Prospects and Applications

6th International Workshop and School

2014, January 4 - 18

Workshop Program

Day I: Tuesday 14th

Chairperson: Angel Rubio

09:30 - 09:45Angel Rubio Opening remarks
09:45 - 10:15Stefano Sanvito Real-time spin dynamics in TDDFT
10:15 - 11:45Esa Räsänen Electronic properties of artificial graphene
10:45 - 11:15Umberto de Giovannini Time-resolved spectroscopies for atoms and molecules with TDDFT
11:15 - 12:00 Coffee Break
12:00 - 12:30Hardy Gross Coupled electron-nuclear dynamics beyond the Born-Oppenheimer approximation
12:30 - 13:00Stefano Pittalis On non-collinear gradient expansions and their generalizations in spin-density-functional theory

13:00 - 15:30 Lunch

Chairperson: Christoph Lienau

15:30 - 16:00Julia Stähler Ultrafast dynamics of exciton formation and relaxation at the ZnO(10-10) surface
16:00 - 16:30Antonietta de Sio Charge-to-current conversion in artificial light harvesting systems and organic solar cells: Ultrafast spectroscopy and TDDFT simulations
16:30 - 17:00 Coffee Break
17:00 - 17:30Nacho Pascual Probing magnetic phenomena of single molecules on metal and superconducting surfaces
17:30 - 18:00Simo Huotari Inelastic x-ray scattering: recent applications
18:00 - 18:30Toby Meyer Dye Sensitized Solar Cell Progress
18:30 - 20:00POSTER SESSION

Day II: Wednesday 15th

Chairperson: Alberto Castro

16:00 - 16:30Ilya Tokatly TDDFT for many-body systems driven by a quantized electro-magnetic field
16:30 - 17:00Heiko Appel Real-time evolution of correlated photon-electron wavefunctions in quantum electrodynamics
17:00 - 17:20Johannes Flick Poster Prize Talk: Real-time propagations for correlated systems in Fock space
17:20 - 17:45 Coffee Break + Group Photo
17:45 - 18:15Garnet Chan TBA
18:15 - 18:45David Strubbe Excited-state forces in TDDFT and the Bethe-Salpeter equation
18:45 - 19:15Marius Wanko Tuning the photophysics of biological chromophores

20:45 - 24:00 Conference dinner (Restaurante La Llardana)

Day III: Thursday 16th

Chairperson: Neepa Maitra

09:30 - 10:00Stefan Kurth Dynamical exchange-correlation corrections to transport
10:00 - 10:30Robert van Leeuwen Ultra-nonlocality in density-functional theory for photo- emission spectroscopy
10:30 - 11:00Johannes Lischner First-principles calculations of spectral functions: spin multiplets, plasmon satellites, and spin fluctuations
11:00 - 11:45 Coffee Break
11:45 - 12:15Roi Baer Stochastic methods for gentle scaling of electronic structure methods with acronyms we love and trust (DFT, MP2, RPA, GW)
12:15 - 12:45Dieter Bauer Time-dependent natural orbital theory applied to worst-case TDDFT problems
12:45 - 13:15Eric Suraud Dissipative effects in quantum time dependent mean field

13:15 - 16:30 Lunch

Chairperson: Fernando Nogueira

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

Day IV: Friday 17th

Chairperson: Hardy Gross

09:00 - 09:30Micael Oliveira Materials design using real-time TDDFT: from clusters to proteins
09:30 - 09:50Tuomas Rossi Poster Prize Talk: Atomistic approach for the field enhancement in quantum plasmonics nanostructures
09:50 - 10:30 Coffee Break
10:30 - 11:00Pierluigi Cudazzo Frenkel versus charge-transfer exciton dispersion in molecular crystals
11:00 - 11:30Grzegorg Mazur Dressed TDA-TDDFT approach to doubly-excited configurations
11:30 - 11:45The organizers Closing remarks and next Benasque meeting in 2016

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