| Description |
Gonzalo Díaz Mirón (ICTP)
Abstract:
Understanding the molecular excited states properties of biological systems is a matter of enormous relevance. Phenomena such as photosynthesis or DNA damage by UV radiation are just a couple of examples. The simulation of these processes require techniques beyond Born-Oppenheimer Approximation, called Non-Adiabatic molecular dynamics (NAMD). In this seminar I will show how to calculate absorption, fluorescence spectra and quantum yields in biological systems. In addition, I will also explain the Trajectory Surface Hopping algorithm, which is one of the most popular techniques in NAMD and also I will discuss its application to a new phenomena called Non Aromatic Fluorescence (NAF). |
CMSP Seminar (Atomistic Simulation Webinar Series): Excited states properties and non adiabatic molecular dynamics in biological systems
Go to day