Sofía Calero

Prof. Sofía Calero is a Full Professor at the Eindhoven University of Technology (TU/e) and Vice Dean of the Department of Applied Physics & Eindhoven School of Education. She leads the Materials Simulation & Modelling group, focusing on computational methods for renewable energy and nanostructured materials.

• MSc (1995) and PhD (2000), University Complutense of Madrid
• Marie Curie Fellow (2001–2003), University of Amsterdam
• Ramón y Cajal Fellow (2004) and Full Professor (2017) at University Pablo de Olavide (Spain)

Her research bridges computational physics-chemistry and industrial applications, developing force fields, algorithms, and simulation methods to reverse-engineer material properties. She specializes in adsorption, metal-organic frameworks, zeolites, and molecular simulation, contributing to SDGs like climate action and clean energy.

Recent publications focus on halide perovskites, carbon dioxide capture, and nanostructured materials, with software tools like RASPA and iRASPA as key outputs. Articles span Nano Letters, Chem, and Journal of Physical Chemistry C.

• ERC Proof of Concept Grant (2018)
• Marie Curie Excellence Award (2005)
• Fellow of the Royal Society of Chemistry (2024)

She has supervised 36 research works and taught courses like Advanced Materials Modelling and Mechanics. Her work involves collaborations with industries and institutions across Europe.