Email

  • stampResearcher (November 2013 – November 2015)

Department of Theoretical Physics, Atomic and Optics. Faculty of Sciences. University of Valladolid.

Computer simulations of gas adsorption and molecular reactivity in graphene, porous carbons and nanoparticles.

 

  • Maternity leave (April 2012 – October 2013)

 

  • Researcher (October 2010 – March 2012)

Department of Physical Chemistry. Faculty of Pharmacy. University of Barcelona.

Study of the molecular mechanism of nitrosative stress resistance in tuberculosis by means of docking techniques, MD simulations and QM calculations. See more details in here.

 

  • Researcher (January 2008 – September 2010)

Department of Physical and Analytical Chemistry. University of Oviedo.

MD simulations of MMPs (Matrix Metalloproteinases) and triple helical peptides (THPs) as model systems of collagen, both in continuum and explicit solvent models. See more details in here.

 

  • Junior Researcher (Januray 2006 – December 2007)

Institute of Organic Chemistry and Biochemistry. Academy of Sciences of the Czech Republic.

Theoretical study on isolated polypeptides by means of QM calculations and MD simulations.See more details in here.

 

  • Postdoctoral Researcher (January 2004 – December 2005)

Centre of Biomolecules and Complex Molecular systems. Academy of Sciences of the Czech Republic.

Ab initio calculations on nucleic acid base pairs. Analysis of the nature of the intermolecular interaction in model systems of hydrated peptides. Theoretical study of isolated peptides containing aromatic side chains by means of MD simulations and QM calculations. See more details in here.

 

  • Marie Curie fellow (April 2003 – July 2003)

J. Heyrovšký Physical Chemistry Institute. Academy of Sciences of the Czech Republic.

Applicability of the Brillouin-Wigner multireference method to the study of chemical reactions.

 

  • Marie Curie fellow (May 2001 – September 2001)

J. Heyrovšký Physical Chemistry Institute. Academy of Sciences of the Czech Republic.

Applicability of the Brillouin-Wigner multireference method to the study of chemical reactions.

 

  • Fundación Universidad de Oviedo (October 2000 – December 2000)

Química ID Asturias S. L.

Development of new strategies for the transformation and recycling of organic and inorganic compounds of biomedical interest.

 

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