Program

The Annual Meeting allows the XRQTC members to share the findings obtained from their research. The aim of the event is broadening the views towards topics of interest for the community.

Ph.D. Students and young researchers are encouraged to submit their abstracts for contributed presentations!!

The book of abstract is NOW available HERE

 Thursday, 12th July
XXXIV XRQTC Annual Meeting
9:30-10:00Registration and Welcome
Session 1Chairman Albert Rimola, (UAB)
10:00-10:50
Keynote Conference
Dr. Antonio Acín (ICFO)
Quantum Information Theory
10:50-11:10Jaime Rodríguez-Guerra, (UAB):
InsiliChem Molecular Modelling Suite
11:10-11:30Jordi Sans, UB:
A computational study of tacticity effect using RIS model
11:30-12:00Coffee break
Session 2Chairman: Albert Poater, (UdG)
12:00-12:20Miquel Blancafort, UB:
Quantum-classical approach to the reaction dynamics in superfluid helium nanodroplets. The Ne + Ne@(4He)N ➝ Ne2@(4He)N’ + (N-N’)4He reaction
12:30-12:40Anna Cebrian, UAB:
Study of Prostaglandin G2 formation from Arachidonic Acid catalyzed by Cyclooxygenase-2 and its inhibition in presence of Aspirin: A Molecular Dynamics/QM/MM approach
12:40-13:00Albert Solé Daura, URV
Modeling the Interaction between Proteins and Polyoxometalates as Selective Proteases
13:00-13:20Juan José Piñero, UB:
H2 dissociation on transition metal carbide surfaces
13:20-15:00Lunch
Session 3Chairwoman: Maria Besora, (ICIQ)
15:00-15:20Lorenzo D'amore, UdG:
A Highly Reactive Oxoiron(IV) Complex Supported by Bioinspired N3O Macrocyclic Ligand
15:20-15:40William Zamora, UB:
Development and Applications of Hydrophobic Models Represented by the Transfer Free Energy of (Bio)Organic Compounds between Two Immiscible Phases
15:40-16:00Edvin Fako, ICIQ:
Single Atom Catalysis: the missing link between Homogeneous and Heterogeneous Catalysis
16:00-16:20Stefano Pantaleone, UAB
Glycine polymerization catalyzed by the TiO2 (101) anatase surface
16:20-16:40Almudena Notario, URV
Reconciling Valence State with Magnetism in Mixed-valent V22O54: a combined theoretical approach
16:40Reunió del Consell Científic , OPEN TO EVERYBODY, Oberta a Tothom!