Oliver Marquardt (Tyndall National Institute, Cork, Ireland) Osamah Aldaghri (University of Leeds, UK)ġ5:15 Symmetry-adapted formalism to calculate elastic and electronic properties of (111)-oriented zincblende quantum dots Jaroslaw Jarzynka (Heriot Watt University, UK)ġ4:55 Electronic structure of Ge quantum wires for different growth directions and strain conditions Morten Willatzen (University of Southern Denemark)ġ4:35 Path Integral Monte Carlo simulations of charge carriers in vertically and laterally coupled quantum rings Quantum Nanostructures II (chair: Stanko Tomic)ġ4:00 Invited Geometry effects in waveguiding and electronic properties Joydeep Pal (University of Manchester, UK)Īccelrys Presentation (chair: Max Migliorato)ġ2:50 working Lunch, Networking, Hands-on Sessions and Posters Caro (Tyndall National Institute, Cork, Ireland)ġ1:55 Impact of non-linear piezoelectricity on excitonic properties of III-N semiconductor quantum dots Jacky Even (Université Européenne de Bretagne, France)ġ1:35 Effect of the local polarization in nitride nanostructures Hine (Imperial College London, UK)ġ0:25 Density functional studies of the defect-induced electronic structure modifications in bilayer boronitreneĪniekan Magnus Ukpong (University of Pretoria, South Africa)ġ1:15 Linear and non-linear electro-elastic coupling, with complete symmetry analysis and DFT calculations applied to GaN and AlN compounds in wurtzite structure Rita Magri (University of Modena & Reggio Emilia, Italy)ġ0:05 Fermi-level pinning in polar semiconductor nanorods explored with linear-scaling DFT calculations Pereira (Sheffield Hallam University, UK)ĩ:30 Invited: Interfaces and surfaces of III-V semiconductors: from growth issues to electronic properties Ali Pourghaderi (Swansea University, UK)ġ8:05 Microscopic theory of intersubband thermophotovoltaic devices Jonathan Cooper (University of Leeds, UK)ġ7:45 A rigorous calculation of tunneling current for the quantum-well Schottky structure Urs Aeberhard (Forschungszentrum Jülich, Germany)ġ7:05 Modelling multilayer structures with circularly birefringent materialsĮntesar Ganash (University of Sheffield, UK)ġ7:25 Simulation of surface acoustic waves for broadband modulation of quantum cascade lasers Gabriel Bester (Max Planck Institut, Stuttgart, Germany)ġ5:35 Symmetry reduction in multiband Hamiltonians for semiconductor quantum dots: The role of interfaces and higher energy bandsġ5:55 Comparison of continuum k∙p and atomistic Tight Binding methods for the analysis of InAs/GaAs quantum dotsĭaniele Barettin (University of Rome Tor Vergata, Italy)ġ6:15 NEGF theory of quantum dot fluorescence Vadim Cheianov (University of Lancaster, UK)ġ5:15 Effective atomic pseudopotentials for large scale simulations Quantum Nanostructures I (chair: Marco Califano)ġ4:40 Invited: Catastrophes in electron transport across graphene interfaces QuantumWise Presentation (chair: Max Migliorato)ġ2:00 Atomistix ToolKit – a platform for atomic-scale simulations of nanoelectronic devicesĪnders Blom (QuantumWise-Copenhagen, Denmark)ġ2:45 working Lunch, Networking, Hands-on Sessions and Posters Thomas Hollins (University of Durham, UK)ġ1:00 Choosing DFT Functionals and Supercells for Oxygen Vacancies and Localized Electrons in Cerium DioxideĬhristopher Castleton (University of Nottingham Trent, UK)ġ1:20 Hybrid organic/perovskite semiconductors studied via DFT calculations: from 2H-Pbl2 to hybrid PMPIġ1:40 Magneto-optics of rare earth dopants in semiconductorsīen Hourahine (University of Strathclyde, UK) Regular Programme Thursday 19 th January 2012ġ0:00 Opening remarks (Marco Califano - University of Leeds)ġ0:05 Invited: First-principles optical response of semiconductors and oxide materialsġ0:40 The Optimised Effective Potential Via The Hylleraas Method Applied To Semiconducting And Insulating Systems Rita Magri (University of Modena & Reggio Emilia)ĭavid Whittaker (University of Sheffield) Max Migliorato (University of Manchester)ġ1:30 Ab Iinitio Calculations of Structural and Electronic Properties of Semiconductorsġ4:30 Pseudopotentials for Bandstructure Calculations Training Day Programme Wednesday 18 th January 2012ġ0:00 Empirical Potential Methods and Strain in Atomistic Simulations
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