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Sunday 24 June
     
15:00|16:30   REGISTRATION
     
16:30|16:40   WELCOME
     
16:40|17:20   M. Persico
   

Nonadiabatic excited state dynamics with semiclassical methods
     
17:20|18:00   G. Scholes
   

Electronic Couplings and Energy Transfer in Photosynthesis
     
19:00|20:30   WELCOME COCKTAIL
     
     
     
Monday 25 June
     
9:00|9:30   O. Prezhdo
    Excited State Dynamics of Photoexcited Charge Carriers
in Halide Perovskites: Time-Domain Ab Initio
     
9:30|10:00   I. Burghardt
    Ultrafast Vibronic Dynamics of Functional Organic
Polymer Materials: Coherence, Confinement, and Disorder
     
10:00|10:30   A. Troisi
    Making sense of charge and exciton dynamics in organic
materials via model reduction
     
10:30|11:10   COFFEE BREAK
     
11:10|11:40   J. Gao
    Toward a Method beyond Kohn-Sham Density Functional Theory
     
11:40|12:10   M. Elstner
    Multi-scale methods for electron and exciton transfer
in biological and organic materials
     
12:10|14:10   LUNCH
     
14:10|14:40   M. Garavelli
    Towards an accurate computational photochemistry and photobiology:
the paradigmatic case of vision
     
14:40|15:00   P. de Silva
    Static and Dynamic Energetic Disorder in the Emission Layer
of an Organic Light-Emitting Diode
     
15:00|15:20   H. Ma
    Describing the Excited States in Organic Optoelectronics
     
15:20|15:40   E. Coccia
    Probing coherence in ultrafast photoinduced processes:
a quantum chemistry perspective
     
15:40|16:20   COFFEE BREAK
     
16:20|16:50   V. Batista
    Studies of PCET in Natural and Artificial Photosynthesis
     
16:50|17:20   S. Hammes-Schiffer
    Photoinduced Proton-Coupled Electron Transfer:
Integrating Electronic and Nuclear Quantum Effects
     
17:20|17:40   C. Curutchet
    Assessing drug-binding through simulations of electronic energy transfer
     
17:40|18:00   M. Caricato
    Electronic Coupling for Donor-Bridge-Acceptor
Systems with a Bridge-Overlap Approach
     
18:00|19:30   POSTER
     
     
     
Tuesday 26 June
     
9:00|9:30   L. González
    Descriptors to characterize excited states and its time
evolution in the presence of environment
     
9:30|10:00   J. Blumberger
    Charge transport in Organic Semiconductors From Fragment-orbital
Non-adiabatic Molecular Dynamics Simulation
     
10:00|10:30   I. Tavernelli
    New strategies for non-adiabatic dynamics with trajectories
     
10:30|11:10   COFFEE BREAK
     
11:10|11:40   X. Li
    Coupling Real-Time Time-Dependent Density Functional
Theory with Polarizable Force Field
     
11:40|12:10   N. Rega
    Capturing nuclear photorelaxation in condensed phase
through ab-initio molecular dynamics
     
12:10|14:10   LUNCH
     
14:10|14:40   T. Martinez
    T.B.A.
     
14:40|15:00   S. Ghosh
    Quantum Nuclear Effects in the Simulations of Nonadiabatic
Dynamics of Ultrafast Charge Transfer Reactions
     
15:00|15:20   J. Cerezo
    The shape of electronic spectra of floppy molecules in solution: a hybrid quantum/classical description of the contribution of nuclear motion
     
15:20|15:40   M. Biczysko
    From 3-D structure to spectroscopic properties of complex
molecular systems: the Q|R route
     
15:40|16:20   COFFEE BREAK
     
16:20|16:50   F. Manby
    Coupling electronic systems to harmonic environments
     
16:50|17:20   J. Neugebauer
    A Versatile Implementation of Frozen-Density Embedding TDDFT
     
17:20|17:40   L. Cupellini
    Exciton structure and optical spectra of multichromophoric
biomatrices from ab initio multiscale methods
     
17:40|18:00   F. Di Maiolo
    Intermolecular energy transfer in real time
     
18:00|19:30   POSTER
     
20:30   SOCIAL DINNER
     
     
     
Wednesday 27 June
     
9:00|9:30   Y. M. Rhee
    Characterizing energy fluctuations in the FMO Complex
on a DFT level potential: covering
     
9:30|10:00   F. Buda
    Mechanism and Design Strategy in Photocatalytic Water Splitting
     
10:00|10:30   R. Nifosě
    Polarizable embedding effects in the spectral tuning of Fluorescent Proteins
     
10:30|11:10   COFFEE BREAK
     
11:10|11:40   J. Kongsted
    Polarizable (Density) Embedding - from solvents
to heterogeneous environments
     
11:40 12:00   A. Puglisi
    Fully Polarizable QM/MM Approach to the Study
of Electronic Excitations of Flexible Solvated Dyes
     
12:00 12:20   I. Navizet
    Is the tautomerization of firefly oxyluciferin feasible
at the excited state inside the protein?