Materials Modelling Laboratory Seminars


Michaelmas Term 2010



Seminars are usually on Friday at 2pm in the Hume-Rothery Lecture Theatre (exceptions are noted below).

Please add abstracts using the format "SeminarAbstractAuthorMonthYear"

Tuesday 7 Sept, 2.30pm, Prof. Enrico Traversa (NIMS, Tsukuba, Japan)
Towards the miniaturization of solid oxide fuel cells

Friday 8 Oct, 2pm, Dr. Aleksey Kolmogorov (MML)
Materials design with ab initio high-throughput computing Abstract

Friday 15 Oct, 2pm, Prof. Graeme Watson (Trinity College Dublin)
Defects in Cu(I)-based p-type semiconducting oxides - insights from density functional theory Abstract

Friday 22 Oct, 2pm, Prof. Matteo Cococcioni (University of Minnesota)
A unified treatment of band and Mott insulators from the extended Hubbard model Abstract

Friday 29 Oct, 2pm, Dr. Chris-Kriton Skylaris (University of Southampton)
Note location change: 21 Banbury Road conference room.
Large-scale density functional theory calculations applied to biomolecular studies Abstract

Friday 5 Nov, 2pm, Dr. Davide Ceresoli (MML)
Large-scale calculation of NMR chemical shifts: decoding the microscopic structure of cement Abstract

Friday 12 Nov, 2pm, Dr. Hannes Huebener (MML)
Note location change: 21 Banbury Road Lecture Theatre.
Ab initio calculation of second harmonic generation in solids Abstract

Friday 19 Nov, 2pm, Dr Cheol-Hwan Park (MML)
Simulation of the angle-resolved photoemission spectra of graphene Abstract

Friday 26 Nov, 2pm, Prof Dario Alfe' (UCL)
Note location change: 21 Banbury Road Lecture Theatre.
Towards realistic calculations of molecular adsorption and desorption on surfaces Abstract

Friday 3 Dec, 2pm, Paul Kamenski (MML)
Towards and Bond-Order Potential for Silicon Carbide Abstract

Friday 10 Dec, 2pm, Chris Patrick (MML)
Application of ab initio methods to dye-sensitised solar cell interfaces Abstract

Seminar Organizers: FT10 Nicola Marzari, enquiries to mml-at-materials.ox.ac.uk