Workshop on Computer simulation of oxides:
Dopants, defects and surfaces
9th-11th September 2009
Dublin, Ireland
|
|
Aspects of the physics and chemistry of oxides such as strong
electron-phonon coupling or a tendency to form non-stoichiometric
phases give these materials many interesting properties
and pose challenges to both experimental and theoretical methods.
Computer simulation plays an important role in unravelling the
complexities of the electronic and magnetic properties of oxides,
especially doped or defective oxides and oxide surfaces.
This 3-day workshop will bring together leading theorists and
experimentalists in computer simulation and experiment to study
chemical and physical properties of oxides.
The workshop will be held in Trinity College Dublin,
located at the heart of the city of Dublin.
A limited number of accommodation bursaries are available to cover the
cost of accommodation for postgraduate students during the workshop.
Download the programme and book of abstracts here (0.7 MB).
Invited Speakers
| Richard Catlow |
University College London, UK |
Surface chemistry, defects and reactivity |
| Alan Chadwick |
University of Kent, UK |
X-ray Absorption Spectroscopy: a probe of local structure and oxidation state |
| Francesc Illas |
University of Barcelona, Spain |
Chemical bonding, Electronic and Magnetic Structure in LaOFeAs |
| Georg Kresse |
University of Vienna, Austria |
Density functional + U versus hybrid density functionals for oxides |
| David C. Look |
Wright State University, Ohio, USA |
Electrical and Optical Activity of Point Defects in ZnO |
| Horia Metiu |
University of California at Santa Barbara, California, USA |
Catalysis by Atomic Sized Centers |
| Jörg Libuda |
University of Erlangen, Germany |
Structure, Reactivity and Kinetics on Simple and Nanostructured Oxide Surfaces |
| Matthias Scheffler |
Fritz-Haber Institut, Berlin, Germany |
Defects and doping of bulk oxides SnO2, MgO, ZrO2 and lanthanide oxides |
| Chris Van de Walle |
University of California at Santa Barbara, California, USA |
Sources of conductivity in transparent oxides |
| Su-Huai Wei |
National Renewable Energy Laboratory, Colorado, USA |
Defect control in wide band gap oxides |
Workshop Organisers
- Charles Patterson, Trinity College Dublin, Ireland;
- Michael Nolan, Tyndall National Institute, Cork, Ireland;
- Simon Elliott, Tyndall National Institute, Cork, Ireland;
- Graeme Watson, Trinity College Dublin, Ireland.
For more information please email Charles.Patterson at tcd.ie
|
