Close
Chemistry, Light and Dynamics Seminar
24 May 2021, 3:00 pm–4:00 pm
Testing the limits of the Multi-Layer Multi-Configuration Time dependent Hartree method
This event is free.
Event Information
Open to
- UCL staff | UCL students
Availability
- Yes
Cost
- Free
Organiser
-
CLD Committee
Location
-
VirtualVia TeamsLondonWC1H 0AJUnited Kingdom
Monday’s CLD seminar will be given by Alice Van Haeften of the Worth Group.
A showcase of the different ways the ML-MCTDH method can be used to predict quantum dynamics. I will show how it can be used to predict the photoelectron spectrum of the doubly degenerate cationic ground state of Allene. How the electron transfer from the excited state of a dye molecule into the conduction band of a semiconductor can be simulated in a quantum manner. Finally, the ML-MCTDH will be used in conjunction with a density matrix to simulate the quantum process of a ground state proton transfer in a system at finite temperatures.
About the Speaker
Alice Van Haeften
at UCL