Overview

Modelling, theory and the use of sophisticated computational tools have the potential to represent a substantial cost and time saving for R&D. The development of high speed computer architectures is finally allowing the ordinary use of accurate methods for calculating the structural, thermodynamic, vibrational and electronic properties of semiconductors and their heterostructures.

This IOP sponsored workshop, a follow up from the event in Manchester in 2008, will run for three days, with the objective of bringing together UK and international leading experts in the field of theory of group IV, III-V and II-VI semiconductors together with postdocs and students in their early stages who will benefit from an introduction to a very vast field at this influential point in their careers.

The introductory day  (13th January) is a training event intended specifically for PhD students at the beginning of their studies, with high level lectures on the most used methodologies in the field.

The lectures will be given by:


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Max Migliorato (University of Manchester),"Empirical Potential Methods and Strain in Atomistic Simulations"

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Matt Probert (University of York), "ab initio Calculations of structural and electronic properties of Semiconductors"

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Marco Califano (University of Leeds),"Empirical Methods for Bandstructure Calculations"

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David Whittaker (University of Sheffield), "Photonic Structures"

Invited, contributed talks and poster presentations will take place on day 2 and 3 (14th -15th January), together with software presentations, tutorials and hands-on sessions to train young and older researchers alike in the use of existing software packages, which will include Castep (DFT).

Invited presentations will be given by the following keynote speakers:

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John Robertson (University of Cambridge),band gaps & defects

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Risto Nieminen (Helsinki University of Technology Finland), Nanotubes

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Rex Godby (University of York),Excited States & Transport

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Eoin O'Reilly (Tyndall Institute Cork Republic of Ireland),III-Nitride Semiconductors

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Stewart Clark (University of Durham), Hybrid functionals in Density Functional Theory


Topics for Contributions


  - Density Functional Theory Calculations
  - Tight Binding, Pseudopotential and Effective Mass Models for Electronic Structure
  - Empirical Potential Methods for Calculation of Structural Properties
  - Optical and Transport Properties of Quantum Nanostructures including Colloidals and Nanotubes
  - Dilute Magnetic Semiconductors
  - Graphene
  - Laser Devices
  - Photonic Structures
  - Electronic Devices