DrStiv Llenga

I am a postdoctoral researcher at Imperial College London working at the intersection of computational chemistry, machine learning and autonomous experimentation. My research focuses on developing intelligent, interpretable and data-efficient computational methods for accelerating molecular and materials discovery.

I am particularly interested in Bayesian optimization, molecular representations, explainable machine learning and the integration of computational models with automated experiments. More broadly, my work explores how chemical information can be represented, learned and used to guide decision-making in complex scientific search spaces, with the aim of enabling more efficient and autonomous scientific discovery.