"Red Española de Supercomputación" (RES)
MEC y MICINN
Status: ongoing projectQCM-2017-2-0010 First principle study of NaY zeolite and their Pt cluster loading
QCM-2015-3-0017 Analysis of the ultrafast charge transfer in organic photovoltaic devices based on endohedral metallofullerenes
FI-2015-2-0002 Thermoelectric energy conversion efficiency of conducting polymers
QCM-2015-2-0022 Analysis of the ultrafast charge transfer in organic photovoltaic devices based on endohedral metallofullerenes: effect of the solvent
QCM-2015-1-0022 Analysis of the ultrafast charge transfer in organic photovoltaic devices based on endohedral metallofullerenes: effect of the solvent
QCM-2015-1-0043 Modelling 2D Transition Metal Dichalcogenide Heterostructures
FI-2015-1-0008 Real Space Real Time method for first principles calculations of general periodic systems using OCTOPUS.
QCM-2014-2-0036 Improving the Performance of the IO and Density Fragment procedures on OCTOPUS code.
QCM-2014-1-0041 New local multipole implementation and visualization for Octopus code
QCM-2014-3-0030 Analysis of the ultrafast charge transfer in organic photovoltaic devices based on endohedral metallofullerenes
QCM-2013-3-0007 Performance of Time Dependent Density Functional Theory in the strong field photoionisation of noble gas atoms
QCM-2013-2-0045 Performance of Time Dependent Density Functional Theory in the strong field photoionisation of noble gas atoms
FI-2014-2-0024 Optimal Control of Molecular Spectra in 1D Model Systems and 3D Molecular Systems
FI-2014-1-0031 Optimal Control of Molecular Spectra in 1D Model Systems and 3D Molecular Systems
FI-2014-1-0015 Thermoelectric energy conversion efficiency of nanostructures of reduced dimensionality
FI-2013-3-0021 Implementation of new exchange correlation functionals and molecular dynamics calculations in Octopus
FI-2013-1-0010 Octopus GS and TD scaling testing in new archictecures
QCM-2013-1-0043: Quantum nonlocal effects in plasmonic nanostructures: bridging the gap between fully atomistic approaches and the classical descriptions of their electronic response
QCM-2012-3-0028: Quantum nonlocal effects in plasmonic nanostructures: bridging the gap between fully atomistic approaches and the classical descriptions of their electronic response
QCM-2012-3-0033 Ultrafast Electron Dynamics at alkali/ice structures adsorbed on Cu(111) from experiments and theory
QCM-2012-1-0034 Optical response, excitons and electronic correlations in TiO2 nanomaterials: novel insights from a fully ab-initio many-body perturbation theory approach
QCM-2012-2-0032: Quantum nonlocal effects in plasmonic nanostructures: bridging the gap between fully atomistic approaches and the classical descriptions of their electronic response
QCM-2012-1-0029 Towards a novel oxide electronics: ab initio many body calculation of the electronic properties of interfaces between transition metal oxides
QCM-2011-3-0013: Optical, electronic and dynamical properties of confined water in carbon nanotubes
QCM-2011-3-0011: Towards a novel "oxide electronics": ab initio many body calculation of the electronic properties of interfaces between transition metal oxides
QCM-2011-3-0035: Defects mediated enhancement of TiO2 photocatalysis in the visible range: understanding of the wet electron states by ab initio techniques
QCM-2011-3-0029: First principles study of the Supramolecular assembly of conductive 1D Pt-based structures
QCM-2011-3-0034: Optical response of silver nanoparticles to femto- and attosecond pulses: the role of the nanoparticle size and geometry" ha sido aceptada para usar los recursos de supercomputación en MareNostrum.
QCM-2011-1-0039: Excited state properties of TiO2 hybrid surfaces: photocatalysis and photovoltaics throught ab initio many body Methods
QCM-2010-3-0012: Characterization of the optical absorption spectrum of Cationic porphyrins stacked in DNA derivatives by means of Time Dependent Density Functional Theory
FI-2010-3-0001: Towards understanding strong electronic correlation in transition-metal oxides from first principles: a theoretical spectroscopy approach
FI-2009-2-0026; FI-2009-3-0009; FI-2010-1-0002; FI-2010-2-0020: Optical and Charge Transfer Properties of Hybrid Organic-Dye/Oxide Nanostructure and Interface Systems for Solar Cells Application (ETSF activity)
FI-2009-1-0006; FI-2008-3-0014; FI-2008-2-0035: Optical Properties of BN Nanotubes and Hexagonal BN (ETSF activity)
FI-2007-3-0024; FI-2007-2-0012; FI-2007-1-0011; FI-2006-4-0017: Spectroscopic properties of biomolecules, nanostructures and extended systems (ETSF activity)
ICTS-CESGA - Centro de Supercomputacion de Galicia
(169) Ultrafast photo-induced phase transition in VO2: excitons and dynamics (100000 hours)
(183) Optical fingerprint of the intercalated cationic porphyrins on G4-DNA by means of Time-Dependent Density-Functional Theory (150000 hours)