Nicholas Harrison

Professor Nicholas Harrison is the Chair of Computational Materials Science and Director of Development at the Department of Chemistry, Imperial College London (Faculty of Natural Sciences). His work focuses on developing quantum mechanical computational methods for condensed matter systems, with applications in advanced materials discovery. Key research areas include spintronics materials, multiscale bone fracture modeling, and corrosion mechanisms. He leads the Computational Materials Science Group and is affiliated with multiple institutes including the Institute for Molecular Science and Engineering and the Thomas Young Centre.

Education details are not explicitly listed but his long-term academic career suggests advanced degrees in chemistry or materials science. His research integrates computational simulations with experimental insights, addressing challenges in energy storage, catalysis, and structural materials. Over 30 years of expertise in ab initio methods has led to contributions in software development (e.g., CRYSTALpytools) and fundamental material property investigations.

Recent publications emphasize energy-related materials (e.g., photocathodes, photoanodes), corrosion science (Mg surface behavior), and quantum phenomena in molecular systems. His work bridges theoretical and applied domains, aiming to accelerate materials innovation for sustainability and technology.

Notable collaborations include the Thomas Young Centre for materials theory and partnerships with engineering teams at Imperial. Research infrastructure includes advanced computational facilities and experimental partnerships in materials characterization.