Incorporating The Materials Genome Project

	Third International Workshop on DFT Applied to Metals and Alloys, Oran, Algeria 2- 4 May 2007 Venue: EDEN PALACE Hotel Programme 1st May 2007 14h00– 21h00 : Registration18h30 – 19h00  : Opening Ceremony 19h00 – 19h30  : Get together Party 20h00 : Diner 2sd May 2007 8h30 – 09h30 : Opening Talk Prof Walter Kohn (Nobel Price of Chemistry 1998), University of California, USA Nearsightedness of Electronic Matter 09h30 – 10h00 : Prof Leonard Kleinman, University of Texas, USA Using density functional calculations to discover new things about old materials 10h- 10h30 : Coffee Break 10h30 – 11h00 : Prof Su-Huai Wei,  National Renewable Energy Laboratory, Golden, USA First-principle Design of Functional Materials 11h00 – 11h30: Prof Khrisna Rajan, Iowa State University, USA Mining the  Charge density 11h30 – 12h00: Prof David Singh, Oak Ridge National Laboratory (ORNL) , USA First Principles investigation of Ferroelectric Materials 12h00 – 12h30: Prof Raffaele Resta, INFM, Roma, Italy A general view of insulators .vs. metals 12h30 – 13h00 : Prof Colin Glass, Department of Materials, ETH  Zurich, Switzerland Ab initio evolutionary crystal structure prediction: a tool for discovery and design of new materials 13h00 – 14h00 : Lunch 14h00 – 14h30 :  Prof Richard Needs, University of Cambridge, UK Applications of diffusion quantum Monte Carlo 14h30 – 15h00 :  Prof David Landau, The University of Georgia ,  USA Monte Carlo Simulations of Domain Growth in Compressible Alloys 15h00 – 15h30 : Prof Claudia Filippi, University Of Leiden,  Netherlands Photoactive biomolecules in a new light: a quantum Monte Carlo study 15h30 – 16h00 : Prof Denis Clougherty, University of Vermont ,  USA Novel Polarons and Solitons in Multiband Systems 16h00 -16h30 : Poster Session I 16h30 – 17h00: Prof Stephen Heinze  , Germany DFT Calculations of Surface Magnetism 17h00 – 17h30: Prof Olle Ericksson,  Upssala University, Sweden Nano-magnetism, principles and practicalities 17h30 – 18h00: Prof Stefaan Cottenier, Instituut voor Kern- en Stralingsfysica, Leuven,  Belgium The nodon model: an alternative look at Cr magnetism 18h00 – 18h30 : Prof Hisazumi Akai, Japan Transport properties of half-metallic antiferromagnetic semiconductors 18h30 – 19h00 : Dr Marjana Lezaic, Germany large First-principles Investigation of Spintronics Materials 20h30  :  Conference Diner 3rd May 2007 8h30 – 9h00 : Sakir Erkoc, Middle East University, Turkey DFT Treatment of binary and ternary alloys microclusters 9h00 – 9h30 : Prof David Logan, Oxford University, UK Transport and optics of paramagnetic heavy electron materials 9h30 - 10h00 : Prof Giovanni B. Bachelet, INFM, Roma, Italy Electron-phonon interaction in graphite-intercalation  compounds 10h00 – 10h30 : Poster Session II 10h30 – 11h00 : Prof Mark Eberhart, Colorado School of Mines, USA Charge Density Topology: Applying the Hammond Postulate to Materials 11h00 – 11h30 :  Prof Waito Yang , Duke University, USA Accurate Density Functionals Addressing the Self-Interaction Error and Potential Functional Formalism 11h30 – 12h00: Prof Lucia Reining, Ecole Polytechnique de Paris, France Many-Body Perturbation Theory and Density-Functional approaches: successful combinations 12h00 – 12h30: Prof Jaejun Yu, Seoul National University, Korea First-Principles LDA+U Electronic Structures of Transition Metal Oxide Surfaces and Defects 12h30 – 13h00: Prof Tomasz A. Wesolowski, University of  Geneva,  Switzerland Subsystem formulation of density functional theory: the formal basis for first-principles multi-level numerical simulations of condensed matter 13h00 – 14h00 : Lunch 14h- 18h : Oran Visit 19h30 -20h30 : Diner 20h30-22h00 : Working Group 4th May 2007 8h30 – 9h00 : Prof Dimitri D. Vvedensky, Imperial College London, UK Multiscale Theory of Driven Interfaces: Renormalization and Self-Organization 9h00 – 9h30 : Prof Wai-Yin Ching, University of Missouri-Kansas City, USA Ab initio simulation of the mechanical properties of microstructures in polycristalline ceramics 9h30 - 10h00 : Prof Z. Xiao Guo, Queen Mary  University Of London, UK Multiscale Materials Modelling for Clean Energy Applications 10h00 - 10h30 Prof Claude Esling, University of Metz, France Application of first principle calculations to microstructure processing of metals 10h30 – 11h00 : Poster Session III 11h0 – 11h30 : Prof Erik Koch, Institut für Festkörperforschung, Jülich , Germany Coulomb parameters and photoemission for the quasi one dimensional molecular metal TTF-TCNQ 11h30 – 12h00 :  Prof Karel Kunc, University of PARIS IV, France Control of ordering in thin films of semiconductor alloys by surfactants 12h0 – 12h30: Prof  Kalman Varga, Vanberbilt University, USA Novel approaches to electronic structure and transport calculations 12h30 – 13h00: Prof Jean-Christophe Charlier, Université Catholique de Louvain,  Belgium Quantum transport in carbon nanotubes 13h00 – 14h00 : Lunch 14h00 – 14h30 :  Prof Levente Vitos, Royal Institute of Technology,  Stockholm, Sweden The Exact Muffin Tin Orbitals method 14h30 – 15h00 :  Prof Roberto Agosta, University of California, USA Transport in nanostructures: beyond static DFT  15h00 – 15h30 :  Prof Michael Rohlfing, Germany Many-body perturbation theory of excited electronic states: GW approximation  and Bethe-Salpeter equation 15h30 – 16h00 :   Prof Hubert Ebert, Germany Calculating spectroscopic properties of transition metal systems on the basis of the relativistic version of the LSDA+DMFT 16h00 -16h30 : Poster Session IV 16h30 – 17h00: Prof Xavier Gonze, Louvain University, Belgium The ABINIT project : modern software engineering techniques for simulation of materials and nanosystems. 17h00 – 17h30: Dr Patrick Rinke, Fritz-Haber-Institut, der Max-Planck-Gesellschaft, Berlin,  Germany Calculating excitations in large systems with FHI-aims, a new, all-electron DFT and GW code 17h30 – 18h00: Prof Volker Eyert, Ausburg University, Germany Title to be confirmed 19h00 – 19h30 : Closing Ceremony 19h30 -21h00 : Diner 21h00- 23h00: Farwell Party           Return to the Workshop home page
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	Contact: Hafid Aourag haourag@mail.univ-tlemcen.dz
Last updated by hafid aourag 27 March 2007