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1996 …2023

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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 is the vice dean of the Department of Applied Physics & Eindhoven School of Education at Eindhoven University of Technology (TU/e). Next to this she leads the Materials Simulation & Modelling group. 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). 

Expertise related to UN Sustainable Development Goals

In 2015, UN member states agreed to 17 global Sustainable Development Goals (SDGs) to end poverty, protect the planet and ensure prosperity for all. This person’s work contributes towards the following SDG(s):

  • SDG 3 - Good Health and Well-being
  • SDG 7 - Affordable and Clean Energy


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