
Curiosity-driven, computation-powered. Designing next-gen materials, atom by atom
Our young and enthusiastic team explores the fundamental interactions governing the behavior of a fascinating array of materials and nanostructures. From the ordered lattices of organic crystals and inorganic semiconductors to the exciting possibilities of low-dimensional materials, heterostructures, and hybrid interfaces, we delve deep into their electronic structure and investigate their response to light across the electromagnetic spectrum, from infrared region to hard X-rays. Our research uncovers fundamental light-matter-coupling processes in static and ultrafast dynamical regime of excitations driven by external (strong) fields.
Leveraging the predictive power of first-principles quantum mechanics, our computational methods, including (time-dependent) density-functional theory and many-body perturbation theory, provide critical insights into material properties. This allows us to guide the design of novel functionalities for a better future.
Driven by a desire to address society's most pressing challenges, we aim to discover stable, non-toxic, and sustainable materials for energy storage and conversion, develop the essential building blocks for quantum technologies, and contribute to the transformative potential of artificial intelligence.
Material modelling, ultrafast dynamics and excitons
Image: Prof. Dr. Caterina Cocchi