Browsing Programa de Doctorat en Física Computacional i Aplicada by Subject "577"

Now showing items 1-6 of 6

    Ab initio molecular dynamics study of thiolate-protected gold clusters and their interaction with biomolecules 

    Rojas-Cervellera, Víctor (Date of defense: 2015-07-17)

    Thiolate monolayer-protected gold clusters (AuMPCs) are being used in various biological and biomedical applications due to their unique physical and chemical properties. The fact that gold-sulphur bonds are very stable ...

    Mapping biophysics through enhanced Monte Carlo techniques 

    Cabeza de Vaca López, Israel (Date of defense: 2015-12-16)

    This thesis is focused on the study of molecular interactions at the atomistic detail and is divided into one introductory chapter and four chapters referencing different problems and methodological approaches. All of them ...

    Modelling emergent rhythmic activity in the cerebal cortex 

    Dornelles, Leonardo dalla Porta (Date of defense: 2022-10-07)

    The brain, a natural adaptive system, can generate a rich dynamic repertoire of spontaneous activity even in the absence of stimulation. The spatiotemporal pattern of this spontaneous activity is determined by the brain ...

    Quantum chemistry and conformational sampling meet together : a powerful approach to study and design metalloprotein reactivity 

    Monza, Emanuele (Date of defense: 2016-12-19)

    Metalloprotein are proteins containing metal ion cofactors. Compared to chemical catalysts, metalloproteins have a well-defined configuration around the active site which ensures higher specificity, selectivity and reaction ...

    Spatiotemporal coordination of collective activity in neuronal ensembles 

    Barardi, Alessandro (Date of defense: 2016-06-03)

    The brain is a complex multiscale dynamical system made of neurons, connected with each other by synapses. Neurons are multidimensional nonlinear systems able to exhibit dynamical activities at different temporal and spatial ...

    Stochastic and complex dynamics in mesoscopic brain networks 

    Malagarriga i Guasch, Daniel (Date of defense: 2017-01-13)

    The aim of this thesis is to deepen into the understanding of the mechanisms responsible for the generation of complex and stochastic dynamics, as well as emerging phenomena, in the human brain. We study typical features ...