Program

Day Monday 26 September
ETSF Steering Committee and IT meetings
Day Tuesday 27 September
9:00Opening
9:30Ultrafast changes of lattice symmetry at the onset of the photoinduced insulator-metal transition of VO2, Julia Staehler
10:00 Microscopic theory of energy dissipation and decoherence in open quantum devices, Fausto Rossi
10:30 Theoretical studies of ultrafast photoinduced proton-coupled electron transfer reactions, Alexander V. Soudackov
11:00 Coffee Break
11:30 Non-linear phenomena in time-dependent density-functional theory: What Rabi physics can teach us, Johanna Fuks
12:00 Size-consistency and fractional spin in Reduced Density-Matrix Functional Theory, Nicole Helbig
12:20 Exact exchange-correlation potentials for steady-state and time-dependent electronic systems, James Ramsden
12:40 Lunch
14:30 First-principles GW and BSE calculations for molecules of interest for organic photovoltaic applications , Xavier Blase
15:00 Physics with short light pulses: experiments and perspectives, Franck Lepine
15:30 First-principles study of the electronic and optical properties of ZnO and ZnS wurtzite nanoclusters, Giuliano Malloci
15:50 Exploring the conformations, stability, and dynamics of helix-forming alanine-based polypeptides: first-principles predictions and benchmarks, Mariana Rossi
16:20 Ab initio electronic spectra of peptides, Elena Molteni
16:40 Effects of N-doping on the electronic properties of carbon atomic chains with distinct sp2 graphene-like terminations, G. Gueorguiev
17:00 Welcome Aperitif
18:00 ETSF general meeting
18:30 CT reports & meetings
Day Wednesday 28 September
9:00 Electronic properties of functionalized graphene Alexander Gruneis
9:30 The GW approximation in the FLAPW method: Applications to Oxides and Topological Insulators, Stefan Bluegel
10:00 Satellites in Valence Photoemission Spectroscopy, Matteo Guzzo
10:20 Coffee Break
10:50 Exotic quasi-one-dimensional systems: graphene-based superlattices, Lars Matthes
11:20 Optical response calculations of gold alloys from first principles, Deniz Kecik
11:40 Strong excitons in novel two-dimensional crystals: graphane, silicane and germanane, F. Bechstedt
12:00 Lunch + Poster Session
14:20 Towards a novel approach for the calculation of many-body Green's functions, Giovanna Lani
14:50 Exact solution for 2-particle Green's function: an alternative to Bethe Salpeter Equation, Lorenzo Sponza
15:10 Strong electronic correlation in the Hydrogen chain: a variational Monte Carlo study, Lorenzo Stella
15:30 Properties of the screened interaction in finite systems, Adrian Stan
15:50 Coffee Break
16:20 GW/BSE Calculations of X-ray Spectra, John Vinson
16:50 Many-pole models of inelastic losses and satellites in x-ray spectra, Joshua Kas
17:10 Solids under intense ultrafast excitations: a time-dependent Bethe-Salpeter approach, Andrea Marini
17:30 ASE: A programmable environment for calculations with many electronic structure codes, Ask Hjorth Larsen
18:00 The PRACE Infrastructure Micael Oliveira
18:20 Short GUI demos Massimo Conter, Flavio Abreu Araujo
Day Thursday 29 September
9:00Kondo screening and antiscreening in electron transport across metallic and molecular magnetic nanocontacts, Erio Tosatti
9:30 Electronics and Mechanics of Single Molecule Circuits, L. Venkataram
10:00 Spatio-Temporal description of Quantum Transport, Björn Oetzel
10:20 Coffee Break
10:50 Ab initio many-body effects in TiSe2, Marco Cazzaniga
11:20 Electronic Structure of Dye-Sensitized TiO2 Clusters from G0W0, Noa Marom
11:40 The $G^{0}W^{0}$ band gap of ZnO: effects of plasmon-pole models, Martin Stankovski
12:10 Lunch + Poster Session
14:30 Probing Excited-State Potential-Energy Surfaces by Theoretical Resonance Raman Spectroscopy, J. Neugebauer
15:00 Electronic and mechanical properties of sp carbon atomic nanowires, Nicola Manini
15:20 Electron-phonon coupling in STO, Bin Xu
15:40 Coffee Break
16:10 Bootstrap approximation for the exchange-correlation kernel of time-dependent density functional theory, S. Sharma
16:40 Special Quasirandom Structures: application to liquid systems, A. Mosca Conte
17:10 A unified description of ground and excited state properties of finite systems: the self-consistent GW approach, Fabio Caruso
20:00 Social Dinner
Day Friday 30 September
9:00 Unravelling the properties of graphene and nanotubes with Raman spectroscopy, N. Bendiab
9:30 NMR and EPR with Density Functional Perturbation Theory, S. de Gironcoli
10:00 Coffee Break
10:30 The polarizability and hyperpolarizability of C and BN nanotubes. A quantum-mechanical simulation, Roberto Dovesi
11:00 Auger Recombination and Impact Ionization from first-principles: from bulk to nanocrystals, Marco Govoni
11:20 Excited state properties of TiO2 surfaces and nanostructures, Letizia Chiodo
11:40 Optical characterization of Au nanowires on Si(111) surfaces, Conor Hogan
12:00 Lunch
14:00 Phase transitions within the GW approximation, Matteo Gatti
14:20 Momentum Distribution and Renormalization Factor in Sodium and the Electron Gas, Valerio Olevano
14:40 Current issues in the description of charged defects: the case of hydrogen in amorphous silica, David Waroquiers
15:00 Coffee Break
15:30 Insights in the T-matrix approximation, Pina Romaniello
15:50 TDDFT dynamics for strongly correlated model systems, Claudio Verdozzi
16:20 Collaboration Teams Meetings
Day Saturday 1 October
ETSF Steering Committee




Book of abstracts