Materials Modelling Laboratory Seminars


Hilary Term 2011


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

Please add abstracts using the format "SeminarAbstractAuthorMonthYear"

Friday 28 Jan, 2pm, Prof Chris Pickard (University College London)
Random search - a tool for physics discovery Abstract

Friday 4 Feb, 2pm, Dr Timmy Ramirez-Cuesta (Rutherford Appleton Laboratory)
Ab-initio calculations of the dynamics of select hydrogen containing materials, compared to inelastic neutron scattering spectra Abstract

Friday 11 Feb, 2pm, Dr Francesca Baletto (King's College London)
Magnetic and chemical ordering in transition-metal nanoalloys Abstract

Tuesday 15 Feb, 2pm, Dr Paolo Umari (CNR/Sissa)
Note day change
Accurate GW quasi-particle calculations in large model structures Abstract

Thursday 17 Feb, 4pm, Prof Rex Godby (University of York)
Department Colloquium
Quantum transport beyond the independent-electron approximation Abstract

Friday 18 Feb, Dr Andrew Watt (Oxford Materials)
Photovoltaic nano-material interfaces Abstract

Friday 25 Feb, 2pm, Prof Timo Thonhauser (Wake Forest University)
Van der Waals forces and NMR chemical shifts in large-scale density-functional theory calculations Abstract

Friday 4 Mar, 2pm, Dr Leonardo Bernasconi (Rutherford Appleton Laboratory)
Note location change: 21 Banbury Road Lecture Theatre
Electronic excitations and dynamics in the condensed phase Abstract

Thursday 10 Mar, 4pm, Prof Alessandro de Vita (King's College London)
Department Colloquium
Multiscale atomistic modelling of brittle fracture Abstract

Friday 11 Mar, 2pm, Bernhard Seiser (Oxford Materials)
Topologically close-packed phase prediction in Ni-based superalloys: phenomenological structure maps and bond-order potential theory Abstract

Friday 18 Mar, 2pm, Dr Carla Molteni (King's College London)
Changing shape and coordination under pressure: a computational study of nano-materials by metadynamics Abstract

Friday 25 Mar, 2pm, Dr Michele Ceriotti (Oxford Materials)
Enhancing molecular dynamics by colored-noise thermostats Abstract

Friday 8 Apr, 2pm, Dr Gabor Csanyi (University of Cambridge)
Gaussian Approximation Potentials: quantum mechanical accuracy, without the electrons Abstract

Thursday 21 Apr, 2pm, Prof Mei-Yin Chou (Georgia Tech and Academia Sinica, Taiwan)
Note day change, and location change: Rex Richards Building, 3rd floor (maps are here at the bottom)
Physics of Few-Layer Graphene Abstract