Short CV/Education and training


  • 1990 – 1995
    B.S. in Chemistry, speciality in Physical Chemistry: 1990-1995, UB, Spain

  • 1999
    Ph.D. in Chemistry, UB, Spain

  • 2000 – 2001
    Post-Doctoral Fellowship, group Prof. J. K. Nørskov, Denmark


  • 1995 – 2001
    Assistant Professor, Dept. Physical Chemistry, UB Spain

  • 2000 – 2001
    Assistant Research Professor, Technical University of Denmark, Denmark

  • 2001 – 2005
    Researcher, Dept. Physical Chemistry, UB, Spain

  • since 2005
    Group Leader, Theoretical Heterogeneous Catalysis Group, ICIQ Tarragona, Spain

Academic Honors, Fellowships and Awards

  • 2000
    Marie Curie research grant, HPMF-CT-2000-00431

  • 2001
    Ramon y Cajal research grant, Spanish Ministry of Science and Technology

  • 2004
    Distinguished Scientist, junior category. (5a. Distinció de la Generalitat de Catalunya)

  • 2010
    ERC-Starting Grant (European Research Council, EU)

Selected publications

Selected projects

As project director:

  • ERC Starting Grant "Bio2chem-d: Biomass to chemicals: Catalysis design from first principles for a sustainable chemical industry"(ref. ERC-2010-StG-258406) 2010-2015

  • Spanish Ministry of Science: "Multiscale modelling in heterogeneous catalysis: from synthesis to activity" (ref. CTQ2012-33826) 2013-2015

  • Spanish Ministry of Science: " Atomistic modelling of complex reactions in heterogeneous catalysis: towards greener processes" (ref. CTQ2009-07553/BQU) 2010-2012

  • Spanish Ministry od Education: "Complex reactions in heterogeneous catalysis analised by first-principles methods" (ref. CTQ2006-00464/BQU) 2006-2008

As participant:

  • Spanish Ministry od Education: "Catalyst design for a sustainable chemistry: an integrated approach" (ref. CONSOLIDER CSD2006-0003)

Membership in scientific bodies/juries

  • Evaluator for ERC peer-review projects, since 2012

  • Referee for the Spanish Agency ANEP, since 2003

  • Referee for BSC-RES, 2007-2010

  • Referee CSCS – Swiss National Supercomputing Centre, "L'Agence Nationale de la Recherche" de Francia (projects Blanc – SIMI 7 – Chimie moléculaire, organique, de coordination, catalyse et chimie biologique), since 2011

  • Member of the Editorial Advisory Board de ACS Catalysis since 2013

  • Member of the American Chemical Society, since 2003

  • Chair session in ACS meeting: Size-selected clusters New York, 2003

Media coverage


  • Twitter: @TheorHetCatICIQ

Additional qualifications

Teaching experience:

  • Over 1700 teaching hours in the Physic Chemistry Department of the Universitat de Barcelona. Teaching in the Ph. D. and Master "Theoretical and Computational Chemistry" programmes, 2005-2010

Quality indicators:

  • 96 articles (5 PRL, 4 JACS, 2 Angew. Chem. Int. Ed., 1 Energ. Env. Sci., 1 Nat. Chem, 1 Nano Lett.)

  • 30 h impact factor (more than 4000 citations WOS database)

  • 1 articles with over 400 citations, 8 with over 100 citations

  • 3 ANEP projects

  • 1 ERC-Starting Grant project

  • 1 project funded by industry


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