Researcher, Italian Institute of Technology
Atomistic simulations · Enhanced sampling · Machine learning
About
I am a physicist interested in atomistic simulations, particularly the development of computational methods and their applications to complex problems ranging from biophysics to physics and chemistry.
I obtained a Ph.D. from the Swiss Federal Institute of Technology (ETHZ), Zurich, Switzerland, under the supervision of Prof. Michele Parrinello. I focused on the integration of machine learning and enhanced sampling techniques to study rare events in physics, chemistry and biology. Examples are the generation of machine learning-based potentials for phase transitions and chemical reactions, as well as improving enhanced sampling methods using deep learning and the data-driven identification of collective variables.
After that, I moved to the Italian Institute of Technology in Genoa, Italy, to continue to develop these methods and apply them to important real-world problems, within a framework of numerous national and international collaborations. With the AmmoRef research network of TransHyde, funded by the German Federal Ministry of Education and Research, I applied these methodologies to understand and improve catalytic processes, with a focus on the decomposition of ammonia, a process essential for the hydrogen-based economy. Furthermore, within the Artificial Intelligence Research (FAIR) foundation, I collaborate with machine learning experts to develop state-of-the art methodologies and and apply them to atomistic simulations.
Employment
2024-now Researcher, Italian Institute of Technology, Genova (Italy)
2021-2024 Postdoctoral Researcher, Italian Institute of Technology, Genova (Italy)
2018-2021 Doctoral Assistant, Università della Svizzera Italiana, Lugano (Switzerland)
Education
2018-2021 Ph.D Physics, ETHZ, Zurich (Switzerland)
2015-2017 M.Sc. Physics, University of Milan (Italy)
Awards
2024 "Young Talent Label of Excellence", International Congress of Catalysis
2024 "IACS Young Travel Award @ ICC2024", The International Association of Catalysis Societies
2023 "Italian Innovation in Switzerland", Comites Zurich
2022 "ETH Silver Medal for outstanding doctoral thesis", ETH Zurich
2021 "Poster Prize at ML-IP: Young researcher’s workshop", Psi-k network
© Luigi Bonati 2022-Now