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Change is inherent in life and progress. As a scientist I have the incredible opportunity to be a part of it.

Research profile

Sofia Calero leads the Materials Simulation & Modelling group in the Department of Applied Physics at Eindhoven University of Technology (TU/e). The group focuses on application of simulation for renewable energies and energy efficiency, and on the development of force fields, algorithms and simulation methods to reverse engineer the properties of materials.

 

One of the hallmarks of Calero's research is bridging the gap between computational physics-chemistry and industry. An important part of her research activity is carried out in close collaboration with large and small industries that benefit from the knowledge and scientific transfers that her group develops. Together, using advanced simulation techniques, they are successfully unraveling many mechanisms involving multifunctional nanostructured materials.

 

Calero is a prolific author, editor and organizer, and one of the originators of the software RASPA (molecular simulation software for adsorption and diffusion in flexible nanoporous materials) and iRASPA (GPU-accelated visualisation software for materials scientists).

Academic background

Sofía Calero holds an MSc degree in Physical Chemistry (1995) from University Complutense of Madrid (Spain). In 2000, she obtained her PhD, cum laude and extraordinary prize, at the same university. From 2001 to 2003, Calero was a Marie Curie Fellow at the University of Amsterdam. In 2004 she moved to the University Pablo de Olavide (Spain), where she worked as Ramon y Cajal Fellow (2004), Profesor Contratado Doctor (2006), Profesor Titular de Universidad (2009) and Catedrático de Universidad (2017). In 2020 she was appointed full Professor and chair of Materials Simulation & Modeling at Eindhoven University of Technology (TU/e). 

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Research Output

High-throughput screening of metal – Organic frameworks for CO2 and CH4 separation in the presence of water

Rogacka, J., Seremak, A., Luna-Triguero, A., Formalik, F., Matito-Martos, I., Firlej, L., Calero, S. & Kuchta, B., 1 Jan 2021, In : Chemical Engineering Journal. 403, 11 p., 126392.

Research output: Contribution to journalArticleAcademicpeer-review

  • Effect of lattice shrinking on the migration of water within zeolite LTA

    Perez-Carbajo, J., Balestra, S. R. G., Calero, S. & Merkling, P. J., Feb 2020, In : Microporous and Mesoporous Materials. 293, 6 p., 109808.

    Research output: Contribution to journalArticleAcademicpeer-review

  • 1 Citation (Scopus)

    Efficient modelling of ion structure and dynamics in inorganic metal halide perovskites

    Balestra, S. R. G., Vicent-Luna, J. M., Calero, S., Tao, S. & Anta, J. A., 21 Jun 2020, In : Journal of Materials Chemistry A. 8, 23, p. 11824-11836 13 p.

    Research output: Contribution to journalArticleAcademicpeer-review

  • Enhancing separation efficiency in European syngas industry by using zeolites

    Luna-Triguero, A., Vicent-Luna, J. M., Jansman, M. J., Zafeiropoulos, G., Tsampas, M. N., van de Sanden, M. C. M., Akse, H. N. & Calero, S., 6 Apr 2020, In : Catalysis Today.

    Research output: Contribution to journalArticleAcademicpeer-review

  • Exploiting the π-bonding for the separation of benzene and cyclohexane in zeolites

    González-Galán, C., Luna-Triguero, A., Vicent-Luna, J. M., Zaderenko, A. P., Sławek, A., Sánchez-de-Armas, R. & Calero, S., 15 Oct 2020, In : Chemical Engineering Journal. 398, 11 p., 125678.

    Research output: Contribution to journalArticleAcademicpeer-review

  • Prizes

    Enhancing Separation Efficiency in European Syngas Industry by using Zeolites

    Calero, Sofia (Recipient), 2018

    Prize: ERCProof of conceptScientific

    Marie Curie Excellence Award

    Calero, Sofia (Recipient), 2005

    Prize: OtherCareer, activity or publication related prizes (lifetime, best paper, poster etc.)Scientific

    Marie Currie Individual Fellowship

    Calero, Sofia (Recipient), 2001

    Prize: OtherFellowships & membershipsScientific

    Member of the Academia Net-Expert Database of Outstanding Females Scientist and Scholars

    Calero, Sofia (Recipient), 2013

    Prize: OtherFellowships & membershipsScientific

  • Member of the Young Academy of Europe (YAE)

    Calero, Sofia (Recipient), 2014

    Prize: OtherFellowships & membershipsScientific

  • Activities

    • 2 Membership of board

    Spanish Group of Adsorption (ADS) (External organisation)

    Sofia Calero (Chair)

    2016 → …

    Activity: Membership typesMembership of boardScientific

    International Adsorption Society (External organisation)

    Sofia Calero (Chair)

    20122019

    Activity: Membership typesMembership of boardScientific

    Press / Media

    Sophisticated free app for molecular visualization

    S. Calero

    31/03/18

    1 item of Media coverage

    Press/Media: Expert Comment