Speaker: Michele Casella
Title: Hybrid particle-field molecular dynamics - state-of-the-art and challenges
I will give an overview on the latest developments of hybrid particle-field simulations for biopolymers. After a brief introduction to the general theory, I will present the model for peptides recently developed by us. Then, I will discuss the newest protocols for the treatment of electrostatics in the presence of both homogeneous or non-homogeneous dielectrics. As an example, I will discuss the mechanisms of self-assembly for a charged surfactant like sodium-dodecyl-sulphate (SDS).
Michele is the leader of RT2: Multiscale Modelling, and co-leader of RT6: Multiphase Systems.
The Hylleraas seminars alternate between Oslo (room V205) and Tromsø (room C302), and are broadcasted by video conference to the other place. It is possible to follow the seminars externally upon request.