Madrid, Community of Madrid, Spain
At present, my focus is on coordinating the COST Action CA21101 - COnfined molecular SYstems: from a new generation of materials to the stars (COSY). This COST Action was proposed by 129 researchers from 33 countries. In 3.5 years, the network has grown to over 495 members from 46 countries, with efforts having reflected in the publications of > 350 papers and a running special collection in the Journal "Small Structures". COSY aims to provide a computationally and experimentally sound foundation for a fundamental understanding of confined molecular systems, and to translate the resulting outcome into useful knowledge for applications. They range from creating a new generation of materials, and bio-materials, to disclose the chemistry occurring in space. This challenge is being taken through five strongly correlated working groups on: 1) Accurate description of the intermolecular interaction between a molecule and its confining environment. 2) Efficient description of molecular motion in confined structures. 3) Synthesis and characterization of the stability and novel properties of metal and metal-oxide nanoparticles and subnanometricclusters for applications 4) Synthesis, deposition, and properties screening of high-purity innovative nanomaterials, using helium nanodroplets. 5) Accurate characterization of phenomena of astrochemical relevance. Our Memorandum of Understanding (MoU) is at: https://www.cost.eu/actions/CA21101. And our website at: https://cost-cosy.eu/ About myself: My scientific expertise goes from theoretical-computational chemistry, through molecular physics, to surface chemistry/physics and materials science. I got my Ph.D. at the Universidad Autónoma de Madrid (Spain) with a thesis entitled 'Electronic Structure and Nuclear Dynamics of Molecular Systems'. During the last few years, holding a permanent researcher position at the Institute of Fundamental Physics of the Spanish National Research Council (CSIC), I have led two National Projects focused on the Physics and Chemistry of molecular systems under confinement. At present, I am mostly focused on materials-supported/encapsulated atomically precise metal clusters of subnanometer size, with emphasis on characterizing cluster-support intermolecular interactions, their IR/Raman spectra as well as the role of Jahn-Teller effects in their special properties. I have co-authored more than 100 peer-reviewed scientific articles in a number of frontier areas, and presented 80 contributions in international conferences. See: http://cosyes.csic.es http://orcid.org/0000-0001-8697-5770
http://www.abinitsim.iff.csic.es
CMST COST Action CM1405 "MOLECULES IN MOTION": Working Group Leader WG3 - ALGORITHM DEVELOPMENT AND HIGH-PERFORMANCE COMPUTING