Materials Modelling (previously Electronic Structure)

One of the main aims of TYC is to provide in-depth training to our PhD students and postdocs.

This year the traditional Electronic Structure course, which has been run for last eight years at UCL has been expanded to run over two terms and include introductions into other important techniques.

The course has been re-named and will run every Wednesday from 1-3pm in D3 in UCL Physics from October the 3rd 2018. D3 is located inside the Lab1 on the first floor of UCL Physics.

It aims to provide in-depth introductions into:

Term 1:

Basic many-electron theory: - 2 hours Alex Shluger

Basic DFT: – 4 hours Dave Bowler

Periodic boundary conditions –  pseudopotentials - electrostatics in DFT:  - 4 hours Tom Durrant

Density Functionals , beyond GGA + practicalities: – 2 h Alex Shluger

Molecular  Dynamics: - 4 hours Jochen Blumberger

Ensembles , MC, KMC: - 4 hours Michail Stamatakis

Term 2

Electronic excitations – GW – TDDFT – GF: – 4 hours Johannes Lischner

Phonons: – 4 hours Lev Kantorovich

Semi-empirical methods - interatomic potentials:  – 2 hours Dorothy Duffy

Semi-empirical methods - fitting potentials: - 2 hours David Gao

O(N) methods: 1 hour Dave Bowler

vdW DFT: – 2 hour Angelos Michaelides

Quantum MC: – 2 hours Dario Alfe

Structure search: – 2 hours Chris Pickard

PhD students and postdocs are encouraged to attend the course, just show up on October 3 at 1pm in D3 to register


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