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).