Presentation Topic
New life for “classical” force fields in the age of machine learning
Research Focus
Our research group primarily focuses on the study of intermolecular interactions. We have developed perturbative approaches to describe these interactions, known as symmetry-adapted perturbation theory (SAPT). The SAPT software, created by our team, is currently utilized by nearly 400 research groups worldwide. Additionally, we are interested in ultra-precise calculations for small molecules using explicitly correlated functions. This approach yields benchmark correlation energies, setting accuracy standards for other theoretical methods and achieving the highest possible agreement with experimental results. (Content adapted from Prof. Szalewicz’s website https://www.physics.udel.edu/~szalewic/)
