With the Hassel lecture, the Department of Chemistry from the University of Oslo and the Norwegian Chemical Society (Norsk Kjemisk Selskap, NKS) highlight innovative research by a distinguished invited lecturer. This year, Veronique Van Speybroeck had the honor to head this yearly lecture organized in honor of Nobel Laureate Odd Hassel.
The first day, Thursday May 25th, the Hassel Lecture was targeted at a broad, non-expert audience. Within this talk Veronique illustrated how functional nanostructured materials for sustainable chemistry, nanosensing and clean energy can be modelled at operating conditions, mimicking as close as possible the experimental conditions to enable future technological solutions. She showed some of our recent endeavors to drastically extend accessible length and time scales in molecular modelling using machine learning techniques and molecular dynamics techniques.
The second lecture, Friday May 26th, was addressed to an audience that is more proficient in the area of molecular modeling. After setting the scene of accessible length and time scales in modelling nanostructure materials, Veronique explained how recently the field of Machine Learning Potentials (MLPs) is steadily making its entrance in the field of nanostructured materials. MLPs hold the potential to extend the accessible length and time scales while retaining quantum accuracy. However, the rise of Machine Learning methods does not make fundamental research on quantum mechanical methods to describe the electronic structure problem for challenging problems unnecessary. Indeed, a correctly trained MLP will at best be as accurate as the underlying quantum mechanical data on which it was generated.
Operando modelling functional nanostructured materials for sustainable chemistry, nanosensing and clean energy | Time and place: May 25, 2023 11:15 AM–12:15 PM, Science Library
From quantum mechanics to machine learning: Bridging length and time scales in modeling nanoporous materials at operating conditions | Time and place: May 26, 2023 11:15 AM–12:15 PM, Avogadro, Department of Chemistry