My research focuses on the simulation, fundamental modelling, and experimental development of multifunctional, stimulus-responsive conductive polymer hydrogels for sustainable water purification and desalination technologies. I combine molecular-level computational approaches, including Molecular Dynamics (MD), Coarse-Grained (CG) modelling, Quantum Mechanics (QM), and hybrid QM/MM methods, to understand how these soft materials respond to thermal, solar, and electrochemical stimuli. In particular, I study water and ion transport, electrostatic interactions, and diffusion behaviour within ionic hydrogels, with the aim of understanding and controlling their properties at the molecular level. My work also involves linking computational insights with experimental development to design more efficient and sustainable materials for next-generation water purification and desalination.

I am a member of the Innovation in Materials and Molecular Engineering (IMEM) group, working under the supervision of Prof. Elaine Armelin and Prof. Joan Torras Costa.

• ORCID