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Grupos de investigación

Ab initio simulations of electron-nuclear dynamics: from atoms to surfaces

Grupos de investigación - Ab initio simulations of electron-nuclear dynamics: from atoms to surfaces

Grupo emergente

Acrónimo
ATOSUR
Coordinadores
ALICIA PALACIOS CAÑAS
Palabras clave
Attosecond science. Atomic and molecular physics. Surface science. Ab initio methods for molecular dynamics.
Enlaces

Líneas de investigación

Attosecond electron dynamics in atoms and small molecules. Molecular dynamics on surfaces: sticking and diffraction effects.

Miembros

ALICIA PALACIOS CAÑAS
Email: alicia.palacios@uam.es
DIEGO IVAN RENE BOLL
Email: diego.boll@uam.es
MANUEL LARA ASTIASO
Email: m.lara@uam.es

Miembros asociados externos/Máster UAM

EVARISTO ARRIBAS VILLASECO

Publicaciones

Publicaciones más relevantes

1- M. Nisoli, P. Decleva, F. Calegari, A. Palacios and F. Martín. Chemical Reviews 117, 10760 (2017). 2- G. J. Kroes, C. Díaz, Quantum and classical dynamics of reactive scattering of H2 from metal surfaces. Chemical Society Review, 45 3658 (2016). 3- F. Calegari, D. Ayuso, A. Trabattoni, L. Belshaw, S. De Camillis, S. Anumula, F. Frassetto, L. Poletto, A. Palacios, P. Decleva, J. B. Greenwood, F. Martín and M. Nisoli. Science 346, 336 (2014). 4- A. Palacios, A. González-Castrillo and F. Martín. PNAS 111, 3973 (2014). 5- Chemically accurate simulation of a prototypical surfaces reaction: H2 Dissociation on Cu(111). C. Díaz, E. Pijper, R. A. Olsen, H. F. Busnengo, D. J. Auerbach and G. J. Kroes. Science 326 832 (2009).

Proyectos

Proyectos más relevantes

1- Title: Supercomputing for Attosecond and Material Science: facing new challenges in Phys. and Chem. Funded by: Ministry of Economy and Competitiveness. Ref. FIS2016-77889-R. Principal Investigator: A. Palacios and F. Martín. Duration: 2016-2019 . C. Díaz: participant in the research group. 2- Title: Transgrediendo la aproximación Born-Oppenheimer en colisiones molécula-superficie en tiempo real. Ref: CTQ2013-50150-EXP. Principal Invesigator: Cristina Díaz. Duration: 2014-2016. 3- Title: Femto- and Attosecond Imaging of Molecular Multiple Ionization: Time-resolved electron and nuclear dynamics using free electron lasers and ultrashort pulses (ATTOTREND). Funded by: PEOPLE FP7 Marie Curie Reintegration Grant. Ref. FP7-PEOPLE-2010-RG 268284. Principal Investigator: A. Palacios. Duration: 2010-2014. 4- Title: XUV/X-Ray Lasers for ultrafast electronic control in molecules. ERC-2011-AdG290853-XCHEM. Funded by: European Research Council. Principal Investigator: F. Martín. Duration: 2012-2017. C. Díaz and A. Palacios (participants). 5- Title: XUV/X-ray light and fast ions for ultrafast chemistry (XLIC) COST Action CM1204. Funded by: European Science Foundation (ESF). Principal Investigator: M. Alcamí. Duration: 2013-2018. C. Díaz and A. Palacios (participants).