I am a Lecturer at the Chemistry Department of Swansea University, and Research Affiliate at the Massachusetts Institute of Technology (MIT). I am passionate about sustainablity, people, data, and education. I lead a research group focused on computational chemistry and molecular modeling for the development of Nature-inspired materials for a circular economy. I also believe that Social inquiry, inclusion, and equity are essential to sustainable development, and therefore I advocate for social justice and socially-directed science and technology, collaborating with Station1, an educational non-profit that fosters social-driven innovation. I am also the Athena SWAN officer for the Chemistry Department. Outside academia, I am member of the advisory board of Sweetwater Energy, and integrated biorefinery, Science Policity collaborator for the Society of Spanish Researchers in the UK (SRUK), and I have served as President of the Association of Spanish Scientist in the USA (ECUSA).
At our lab, we apply Density Functional Theory (DFT), Molecular Dynamics (MD) simulations, and Coarse-Grained (CG) modelling to simulate the behaviour of molecules and complex materials from the nanoscale to the mesoscale. We simulate chemical reactivity, electron transport, mechanical properties, self-assembly and degradation mechanisms. We aim to tackle challenges to sustainable development goals, e.g., climate action, resilient infrastructure, precision agriculture, and energy storage. We collaborate internationally with groups in UK, USA, Chile, Netherlands, Spain, Italy, Nigeria, Kenya, Taiwan and Singapore.
More information: link to research group