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Multifunctional Materials Session A Mon 4 Oct 1009
First Principles Determination of Phase Transitions in Magnetic Shape Memory Alloys Tilmann Hickel	11:00 AM
Martensitic transformation and thermoelasticity in copper based shape memory alloys Osman Adiguzel	11:20 AM
Interaction of H with vacancies in iron and steels: The combination of atomistic, thermodynamic and elastic effects Roman Nazarov	11:40 AM

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Multifunctional Materials Session B Mon 4 Oct 1009
Comparison of the Deformation Behavior of Digital Materials using Full-field Strain Analysis and Micromechanical Modeling Zoltan Major	2:20 PM
Multiscale Modeling of Structure and Electronic Transport in Multifunctional Materials Robert Maul	2:40 PM
Performances of a Multifunctional Hollow Sphere-based Foam for Applications at High Temperature Cécile Davoine	3:00 PM
Creep in ferroelectric ceramics: mechanisms and modeling Alexander Belov	3:20 PM

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Multifunctional Materials Session C Mon 4 Oct 1009
On the Multiscale Modeling of Electromechanically Coupled Materials Jörg Schröder	4:20 PM
Using Density Functional Theory to Design New Materials. From Nanoelectronics to the Origin of the Universe Nicola Spaldin	5:00 PM
Ab-initio study of Cu and Fe doping in the lead-free ferroelectric perovskite potassium sodium niobate Sabine Körbel	5:40 PM

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Multifunctional Materials Session D Tue 5 Oct 1009
Anomalous Spin Transport in Magnetic Tunnel Junctions and Graphene Nanopatches Nicholas Kioussis	11:00 AM
Towards ab initio Device Design Mark van Schilfgaarde	11:40 AM
Electronic structure and transport properties of transition-metal/SrTiO3(100) heterojunctions Eva Marie Kalivoda	12:20 PM

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Multifunctional Materials Session E Tue 5 Oct 1009
From DFT to Tight-Binding by Utilizing an Optimized Minimal Basis Bernd Meyer	2:00 PM
A Bond-Order Potential for Silicon Carbide Paul Kamenski	2:20 PM
Development and application of tight-binding potentials for Ti-C and Ti-N systems Elena Roxana Margine	2:40 PM
Interface investigations of TiN with Si3N4, Si and Ti overlayers using AR-XPS Dominik Jaeger	3:00 PM
Bond-order potentials for transition metals and their compounds Matous Mrovec	3:20 PM

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Multifunctional Materials Session F Tue 5 Oct 1009
Thermodynamics Modelling of Plasticity: Relating Macroscopic Behaviour to Atomistics via Crystal Defects Control Pedro Rivera Diaz del Castillo	4:20 PM
Tight-binding modelling of iron and steel Eunan McEniry	5:00 PM
Tight Binding Models from LCAO Georg Madsen	5:20 PM
Finite size effects in oxide nanoparticles: On the origin of lattice expansion and contraction Manuel Diehm	5:40 PM

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Multifunctional Materials Session H Thu 7 Oct 1009
First-principles study of ferroelectric lead zirconate titanate for development of a multi-scale simulation chain Pavel Marton	11:00 AM
Phase field modeling for ferroelectric materials in the context of a multiscale simulation chain Benjamin Voelker	11:20 AM
Micromechanical modeling of ferroelectric bulk materials in the context of a multiscale simulation chain Lothar Kunz	11:40 AM
Micromechanical modeling of ferroelectric thin films within a multiscale simulation chain Olena Vedmedenko	12:00 PM

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Multifunctional Materials Session I Thu 7 Oct 1009
Switching mechanisms and scaling potential of bipolar redox-based memristive devices Rainer Waser	2:00 PM
Low-voltage, high-mobility transparent oxide transistors fabricated by spray coating Georges Adamopoulos	2:40 PM
Multifunctional oxides - The influence of defects on the ferroic properties Sibylle Gemming	3:20 PM

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Multifunctional Materials Session K Thu 7 Oct 1009
Modeling materials with optimized transport properties Peter Kratzer	4:20 PM
Multiscale Material Modelling for Li-Ion Batteries Thomas Eckl	5:00 PM
Ab-initio thermodynamic calculations of substitutional impurities at planar defects in Aluminum Jan-Michael Albina	5:40 PM