Atomic scale modeling of materials and interfaces

I am Associate Professor at the Physics Department of the University of the Basque Country, UPV/EHU. Curretly I teach Statistical Physics and Experimental Techniques I in the Physics Grad, as well as supervise student research projects at every level (undergrad, master, and PhD).

In our "lab" we aim to find the link between atomic and molecular scale structure and the macroscopic properties in a wide range of systems, with a special focus on cement as a sustainable construction material. We use different molecular simulation methods, from density functional theory (DFT), to kinetic monte carlo (KMC), but mainly advanced molecular dynamics (MD) with empirical potentials.

Our team is part of the Green Concrete LTC (Laboratory for Transborder Cooperation Euskadi-Aquitania) and the Baskrete Joint Research Lab. Since 2022 I am editor in the journal Cement and Concrete Research from Elsevier. RILEM member since 2023, participating in the MBC and MCP technical committees.