On 4 April, 2018, Felix Plasser gave a talk at the 6th Molcas developers’ workshop in Leuven: “The WFA module in MOLCAS: Turning numbers into chemical insight” (download pdf). The talk discusses the new wave function analysis (WFA) module in OpenMolcas. It presents some illustrative applications and subsequently presents more technical aspects: installation, execution, and post processing.
Talk
Talk (March 20): Surface Hopping within an Exciton Picture
On March 20, at 2pm (room N1.12), Max Menger will give a seminar talk at the Materials Modelling Seminar about his work of performing photodynamics simulations of multichromohporic systems. The title of his talk will be: Surface Hopping Dynamics Simulations within an Exciton Picture. Please join if you are interested.
Talk: Turning Numbers into Chemical Insight
On March 6, 2018, Felix gave a talk at the Materials Modelling Seminar entitled Computational Photochemistry: Turning Numbers into Chemical Insight. You can find the slides here.