Prof.
Fernando Pirani
(Dipartimento di Chimica, Biologia e Biotecnologie, Università di Perugia)
19/07/2017, 15:15
Molecular Physics at the Edge
Oral parallel contribution
The target of the present work is the detailed characterization of the most relevant components of the intermolecular interaction, which control the molecular dynamics under a variety of conditions. To this purpose, molecular beam experiments have been performed under conditions proper to isolate quantum effects in the single collision events, which probe in detail the projectile-target...
Prof.
Niek F. van Hulst
(ICFO - the Institute of Photonic Sciences)
19/07/2017, 15:45
Molecular Physics at the Edge
Oral parallel contribution
We present the first ultrafast transient absorption of a single molecule. Specifically, we trace the femtosecond evolution of excited electronic state spectra of single molecules over hundreds of nanometers of bandwidth at room temperature. The non-linear ultrafast response of the single molecule is probed using a broadband laser in an effective 3-pulse scheme with fluorescence detection. A...
Dr.
Bruno Martínez Haya
(Universidad Pablo de Olavide)
19/07/2017, 16:05
Molecular Physics at the Edge
Oral parallel contribution
How far into molecular complexity can we get from first principles? Can we predict specific recognitions between molecules from the computation of the relevant conformations and interactions? Is it then possible to forsee how assemblies of molecules spontaneously conform functional nanostructures and materials? Will we ever understand the behaviour of living organisms from the investigation of...
Dr.
Ricardo Pérez de Tudela
(Lehrstuhl für Theoretische Chemie, NC 03/52, Ruhr-Universität Bochum, 44780 Bochum, Germany)
19/07/2017, 16:25
Molecular Physics at the Edge
Oral parallel contribution
The long-standing and fundamental question regarding the minimum number of water molecules required to dissociate an acid molecule in an aqueous microsolvation environment still remains open. For HCl interacting with water molecules - one added after the other - there is convincing evidence that an ion pair, and thus the dissociated acid molecule, can be stabilized using a minimum number of...
Dr.
Giacomo Giorgi
(Department of Civil and Environmental Engineering (DICA), The University of Perugia, Perugia, Italy)
19/07/2017, 16:45
Molecular Physics at the Edge
Oral parallel contribution
see attached file
Prof.
Jorge Marques
(Department of Chemistry, University of Coimbra)
19/07/2017, 17:30
Molecular Physics at the Edge
Oral parallel contribution
Introduction
Knowledge about the structure that different types of matter may acquire is fundamental to understand several properties emerging around in Nature and to build up new materials. Such structural organization can be observed at different scales, ranging from aggregates of atoms in the gas-phase to colloids in condensed-matter physics. From the theoretical view point, one has to...
Dr.
Javier Hernandez-Rojas
(Departamento de Física, Universidad de La Laguna)
19/07/2017, 18:00
Molecular Physics at the Edge
Oral parallel contribution
In this talk we present a coarse-grained model based on the Paramonov-Yaliraki (PY) potential [1] for modeling interacting polycyclic aromatic hydrocarbon (PAH) molecules [2]. This model is parameterized using all-atom reference data to study coronene (C24H12), circumcoronene (C54H18) and their aggregates. We show the ability of the coarse-grained approach to reproduce the global minima...
Dr.
Gonzalez Eva
(CSIC)
19/07/2017, 18:20
Molecular Physics at the Edge
Oral parallel contribution
Zeolites are materials with a well-defined microporous geometry which make them attractive for many industrial applications, for example, in catalysis or in the separation of mixtures. Understanding their adsorption behaviour is therefore an issue of major relevance from a practical point of view, but also from a fundamental one, as it is common that the properties of the adsorbed fluid are...
Mr.
José Manuel Otero Mato
(Universidad de Santiago de Compostela)
19/07/2017, 18:40
Molecular Physics at the Edge
Oral parallel contribution
Mixtures of 1-butyl-3-methylimidazolium tetrafluoroborate [BMIM][BF4] ionic liquid with molecular amphiphilic solvents, methanol and ethanol under nanoconfinement between neutral and charged graphene walls are studied in this work by means of molecular dynamics simulations. The adsorption of alcohol molecules in the walls as well as their distribution in the directions normal and parallel to...
