Wikipedia

Sofía Calero

Sofía Calero Diaz is a Spanish chemist who is a professor and Vice Dean of the Department of Applied Physics and Science Education at the Eindhoven University of Technology. Her research considers computational modelling of functional materials for applications in renewable energy. She was awarded the Spanish Royal Society of Chemistry Award for Scientific Excellence in 2018.

Sofía Calero
Calero in 2013
Alma materComplutense University of Madrid
Scientific career
InstitutionsEindhoven University of Technology
Pablo de Olavide University
University of Amsterdam
ThesisPropiedades dinámicas y termodinámicas de líquidos compuestos por moléculas lineales y complejas a partir de métodos mecanoestadísticos (2000)

Early life and education

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Calero was born in Spain. She attended the Complutense University of Madrid and remained there for her doctoral research, which considered the thermodynamic properties of liquids of complex molecules.[1] She moved to the University of Amsterdam as a Marie Curie Fellow.[citation needed]

Research and career

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Calero moved to the Pablo de Olavide University (UPO) in 2003, where she was named a Ramon y Cajal Fellow, and established a group who studied nanomaterials for applications in technologies.[2][3] She was part of the European Cooperation in Science and Technology (COST) action on Computational materials sciences for efficient water splitting with nanocrystals from abundant elements.[4] The programme looked to developed highly efficient energy converting devices (e.g. electrochemical cells for water-splitting).[5][6] Calero was responsible for the development of Monte Carlo simulations of the project, and contributed to the software RASPA.[7][8] RASPA is a simulation package that allows the study of adsorption and diffusion in nanoporous systems.[8]

Calero moved to the Eindhoven University of Technology in 2020.[9] She was made Vice Dean of the Department of Applied Physics and Science Education.[9] She focuses on the simulation of materials for renewable energies and the development of force field to predict the functional properties of materials.

Awards and honours

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Selected publications

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  • David Dubbeldam; Sofía Calero; Donald E. Ellis; Randall Q. Snurr (26 February 2015). "RASPA: molecular simulation software for adsorption and diffusion in flexible nanoporous materials". Molecular Simulation. 42 (2): 81–101. doi:10.1080/08927022.2015.1010082. ISSN 0892-7022. S2CID 53077055. Wikidata Q60395799.
  • D. Dubbeldam; S. Calero; T. J. H. Vlugt; R. Krishna; T. L. M. Maesen; B. Smit (August 2004). "United Atom Force Field for Alkanes in Nanoporous Materials". The Journal of Physical Chemistry B. 108 (33): 12301–12313. doi:10.1021/JP0376727. ISSN 1520-6106. S2CID 14390433. Wikidata Q59281748.
  • Sofia Calero; David Dubbeldam; Rajamani Krishna; Berend Smit; Thijs J H Vlugt; Joeri Denayer; Johan A. Martens; Theo L M Maesen (1 September 2004). "Understanding the role of sodium during adsorption: a force field for alkanes in sodium-exchanged faujasites". Journal of the American Chemical Society. 126 (36): 11377–11386. doi:10.1021/JA0476056. ISSN 0002-7863. PMID 15355121. Wikidata Q51618932.

References

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  1. ^ Calero, Sofía (2000). Propiedades dinámicas y termodinámicas de líquidos compuestos por moléculas lineales y complejas a partir de métodos mecanoestadísticos (Thesis) (in Spanish). Universidad Complutense de Madrid.
  2. ^ "Grupo de Materiales Nanoestructurados con Aplicaciones Tecnologicas | People". www.upo.es. Retrieved 2022-11-13.
  3. ^ "Calero". Young Academy of Europe. 2016-12-19. Retrieved 2022-11-13.
  4. ^ "About us | Computational materials sciences for efficient water splitting with nanocrystals from abundant elements". Retrieved 2022-11-13.
  5. ^ "Main Aim | Computational materials sciences for efficient water splitting with nanocrystals from abundant elements". Retrieved 2022-11-13.
  6. ^ Samanta, Bipasa; Morales-García, Ángel; Illas, Francesc; Goga, Nicolae; Anta, Juan Antonio; Calero, Sofia; Bieberle-Hütter, Anja; Libisch, Florian; Muñoz-García, Ana B.; Pavone, Michele; Toroker, Maytal Caspary (2022-05-10). "Challenges of modeling nanostructured materials for photocatalytic water splitting". Chemical Society Reviews. 51 (9): 3794–3818. doi:10.1039/D1CS00648G. hdl:2445/197008. ISSN 1460-4744. PMID 35439803. S2CID 248264100.
  7. ^ "WG 3 – Monte Carlo Simulations | Computational materials sciences for efficient water splitting with nanocrystals from abundant elements". Retrieved 2022-11-13.
  8. ^ a b "Home". iRASPA. Retrieved 2022-11-14.
  9. ^ a b "Sofia Calero". www.tue.nl. Retrieved 2022-11-13.
  10. ^ "Dos investigadores españoles reciben el Premio a la Excelencia Marie Curie 2005". 2005-12-14.
  11. ^ "ERC Starting Grants 2011 Results All domains" (PDF). 2011.
  12. ^ "Spanish Royal Society of Chemistry- Research Excellence Award 2018". Eindhoven University of Technology research portal. Retrieved 2022-11-13.
  13. ^ "Sofia Calero | Mujeres Científicas". cientificasinnovadoras.fecyt.es. Retrieved 2022-11-13.
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