Materials Modelling Laboratory Seminars


Trinity Term 2011


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

Tuesday 10 May, 2pm Note day change and location change: 21 Banbury Road Lecture Theatre
Prof Stefano Baroni (SISSA, Trieste)
Bridging the size gap between ground- and excited-state electronic-structure calculations

Wednesday 11 May, 2pm MML Informal Seminar
Note day change and location change: MML Meeting Room
Mr Brian Kolb (Wake Forest University)
Including van der Waals interactions within density-functional theory

Thursday 12 May, 4pm Department Colloquium
Prof Michiel Sprik (University of Cambridge)
Thermochemical and electronic analysis of hydroxyl formation at the rutile TiO2(110)-water interface

Friday 20 May, 2pm
Dr Benjam Morgan (Oxford Materials)
Seeking nanoionic effects: Atomistic modelling of nanostructured ionic conductors

Monday 23 May, 2pm Note day change
Prof Angelo Bongiorno (Georgia Institute of Technology)
Ionized DNA in aqueous solution: A QM/MM Study

Friday 27 May, 2pm
Prof David Manolopoulos (Oxford Chemistry)
Chemical reaction rates from ring polymer molecular dynamics

Friday 3 Jun, 2pm
Prof Ivo Souza (San Sebastian)
Orbital magnetoelectric coupling in insulators

Monday 6 Jun, 2pm Note day change
Dr David O'Regan (University of Cambridge)
Optimised projections and tensorial invariance in methods for large and strongly-correlated systems

Friday 10 Jun, 2pm
Dr Roberto D'Agosta (King's College London, and San Sebastian)
Stochastic approach to electronic and spin thermal transport

Friday 17 Jun, 2pm
Dr Peter Haynes (Imperial College)
What's the point of linear-scaling density-functional theory?

Friday 24 June, 2pm CANCELLED
Dr David Bowler (University College London)
Recent developments in the Conquest O(N) DFT code: Millions of atoms and charge transfer with DFT

Tuesday 28 June, 3pm SPECIAL SEMINAR Note day and time change
Professor Pablo Ordejón (CSIC-ICN, Spain)
Electronic transport in chemically-modified graphene

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