XClose

Chemistry

Home
Menu

Chemistry, Light and Dynamics Seminar

24 May 2021, 3:00 pm–4:00 pm

UCL Campus image

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

Virtual
Via Teams
London
WC1H 0AJ
United 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