Organization: Dr. Begoña Milián Medina Dr. Johannes Gierschner
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1 Symposium CΠC Salón de Actos, Institute for Molecular Sciences (ICMol) University of Valencia Poligono Coma SN Paterna (Valencia) Organization: Dr. Begoña Milián Medina Dr. Johannes Gierschner
2 Programme Thursday, Welcome Reception & Dinner (Taberna Los Monjes, Burjassot) Meeting Point Hotel Los Silos 20:30 h Friday, Meeting Point: Hotel Los Silos 08:20 h Session A (08:50-10:30) - Chairman: Philipe Marsal (Marseille) welcome address Luis Serrano Andrés (keynote): Quantum Chemistry, Excited States, and π- Conjugated Systems: New Frontiers 09:40 Patrick Trouillas: Antioxidant Properties of π Conjugated Natural Polyphenols: A DFT point of View 10:10 Angelo Giussani: Theoretical Study of the Photophysicas of Asulam 10:30 Coffee Break Session B (11:00-13:00) - Chairman: Juan Carlos Sancho-García (Alicante) 11:00 Enrique Ortí Guillén (keynote): Quinoidal Oligothiophenes: Challenging Molecules with a Large Biradical Character 11:40 Juan Aragó: Oligothienoacenes vs Oligothiophenes: Impact of Backbone Rigidity on the Optical Properties 12:00 Philipe Marsal: Investigation of Probe Molecule Polymer Interactions: a Theoretical Insight Yoann Olivier: Influence of a Polymeric Dielectric Layer on Charge Carrier Mobility in Field-Effect Transistors Lunch (at the ICMol) Session C (14:30-16:00) - Chairman: Luca Muccioli (Bologna) 14:30 Juan Carlos Sancho-García: A Link between Quantum and Atomistic Scales Provided by Torsion Energy Profiles 15:00 Rubén Costa: Light Emitting Electrochemical Cells Based on Supramolecular Interactions 15:20 "the experimental challenge" - Larry Lüer (keynote): Ultrafast energy and charge transfer in optoelectronic materials 17:00 Valencia: obvious and secret treasures. Meeting Point: Hotel Los Silos 17:00 h 21:00 Dinner (Los Sabores, Valencia) 2
3 Saturday, Meeting Point: Hotel Los Silos 08:20 h Session D (08:50-10:50) - Chairman: Yoann Olivier (Mons) 08:50 Iñaki Tuñón (keynote): A Computational Approach to Study Reactivity in Complex Environments: Exploring Enzymatic Catalysis 09:30 Antoine Van Vooren: Theoretical Characterization of the Dynamics of Charge Transfer Processes in Donor-Bridge-Acceptor Architectures 10:00 Luca Muccioli: Studying Molecular Rearrangements with Atomistic Simulations 10:30 Mike Wykes: A Conjugated Thiophene-Based Rotaxane: Synthesis, Spectroscopy and Modeling 10:50 Coffee Break Session E (11:20-13:10) - Chairman: Patrick Trouillas (Limoges) 11:20 Alfredo Sánchez de Merás(keynote): Reduced Scaling using Cholesky Decomposition Based Techniques 12:00 Begoña Milián Medina: Fluorination: Ground and Excited States Properties of Conjugated Compounds 12:30 Johannes Gierschner: Conjugated Donor-Acceptor Co-Polymers by Orbital Design 13:00 closing remarks 14:00 Lunch (el Palmar) 3
4 Street map Burjassot (Valencia) symposium venue: Salon de Actos, ICMol entrance ICMol Hotel Los Silos casa B&J tram stop: Tvv Taberna Los Monjes Tram stop: V. Andrés Estellés Addresses: Symposium Venue Salón de Actos, Institute for Molecular Sciences (ICMol) University of Valencia Poligono Coma SN Paterna (Valencia) Taberna Los Monjes Carretera de Llíria Burjassot (Valencia) Spain Tel Hotel Los Silos Calle de Fermín Galán y García Hernández Burjassot (Valencia), Spain Tel Restaurante Los Sabores Landerer 1 Valencia (Spain) Tel Restaurante El Rek El Palmar (Valencia), Spain 4
5 CΠC Restaurant Los Sabores Airport Ciudad de las Artes y Ciencias El Palmar 5
6 6
7 losabores Menú Jamón ibérico y queso Pan con tomate Surtido de ahumados Choricitos a la sidra - Solomillo de ibérico con Salsa de soja - Flan de queso - Café Bodega básica seleccionada: Aguas Refrescos Cerveza Vino tinto antaño D.O Rioja. 7
8 List of Participants 1 Aragó March, Juan Universidad de Valencia Spain 2 Costa Riquelme, Rubén Universidad de Valencia Spain 3 Gierschner, Johannes IMDEA Nanoscience, Madrid Spain 4 Giussani, Angelo Universidad de Valencia Spain 5 Gobbo, Joao Paulo Universidad de Valencia Spain 6 Lüer, Larry IMDEA Nanoscience, Madrid Spain 7 Marsal, Philipe Université de la Mediterranée Aix- Marseille II France 8 Milián Medina, Begoña Universidad de Valencia Spain 9 Muccioli, Luca Universitá di Bologna Italy 10 Nénon, Sébastian Université de la Mediterranée Aix- Marseille II France 11 Olivier, Yoann Université de Mons Belgium 12 Ortí Guillén, Enrique Universidad de Valencia Spain 13 Sanchez, José Universidad de Valencia Spain 14 Sanchez de Merás, Alfredo Universidad de Valencia Spain 15 Sancho-García, Juan Carlos Universidad de Alicante Spain 16 Sauri Péris, Vicenta Universidad de Valencia Spain 17 Serrano Andrés, Luis Universidad de Valencia Spain 18 Tonnele, Claire Université de Mons Belgium 19 Trouillas, Patrick Université de Limoges France 20 Tuñon, Iñaki Universidad de Valencia Spain 21 Van Vooren, Antoine Université de Mons Belgium 22 Viruela, Rafael Universidad de Valencia Spain 23 Viruela, Pedro Universidad de Valencia Spain 24 Wykes, Mike Université de Mons Belgium 8
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