Welcome to the home page of the Alessio lab in the Department of Quantum Nanoscience, within the Kavli Institute of Nanoscience at Delft University of Technology.

How does a complex environment, such as a crystal or substrate, shape the electronic structure, magnetism, and dynamics of localized spins? Can we control spin relaxation, optical properties, and spin–spin interactions to engineer long-lived, optically addressable spins and spin arrays on surfaces?

The Alessio lab develops first-principles quantum chemical methods to answer these questions. We investigate large and complex open-shell systems, from atomic and molecular spins on surfaces to spins in quantum materials. Such spins are central to a range of fundamental physical phenomena with relevance in quantum information science.

We work at the intersection of quantum chemistry, solid-state physics, and molecular magnetism. Our research focuses on transition-metal-containing molecules and materials, where localized spins give rise to fascinating magnetic properties. Using quantum embedding strategies combining wavefunction theory with density functional theory, we aim to describe the complex electronic structures underlying their magnetic behaviour.

We are looking for talented and passionate Master students, PhDs and postdocs. You can find more information here.

We are grateful to the European Research Council for funding through the 2025 Starting Grant SPINOCCHIO (A Quantum Chemical Approach to Spins on Surfaces).

Read more about our research