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Berlin 2012 – scientific programme

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MM: Fachverband Metall- und Materialphysik

MM 45: Computational Materials Modelling VI - Thermal Conductivity and Transport

Thursday, March 29, 2012, 10:15–11:45, TC 006

10:15 MM 45.1 Thermal Conductivities at High Temperatures from First Principles — •Christian Carbogno, Rampi Ramprasad, and Matthias Scheffler
10:30 MM 45.2 Thermal conductivity of minerals at the Earth’s core-mantle boundary from equilibrium molecular dynamics — •Volker Haigis, Mathieu Salanne, and Sandro Jahn
10:45 MM 45.3 Thermal Conductivity in Ge-based Clathrate Systems — •Daniel Schopf and Hans-Rainer Trebin
11:00 MM 45.4 Ab initio characterization of thermoelectrical materials — •Matthieu Verstraete
11:15 MM 45.5 Transport properties of nanoconfined water — •Akinlolu Akande, Ivan Rungger, Clotilde Cucinotta, Konstantinos Gkionis, Udo Schwingenschlögl, and Stefano Sanvito
11:30 MM 45.6 Quantum transport simulations in metallic carbon nanotubes with metal contacts — •Andreas Zienert, Jörg Schuster, and Thomas Gessner
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