TT 21: Frontiers of Electronic Structure Theory: Focus on Topology and Transport
(Joint session of DS, HL, MA, MM, O and TT organized by MM)
Monday, March 7, 2016, 15:45–17:45, H51
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15:45 |
TT 21.1 |
Mechanism of Li intercalation/deintercalation into/from the surface of LiCoO2 — •Ashkan Moradabadi and Payam Kaghazchi
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16:00 |
TT 21.2 |
Potential-dependent mechanism of Li diffusion in Li2S — •Ashkan Moradabadi and Payam Kaghazchi
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16:15 |
TT 21.3 |
Extremely high magnetoresistance in topological insulator candidate LaBi — •Nitesh Kumar, Chandra Shekhar, and Claudia Felser
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16:30 |
TT 21.4 |
VOTCA-STP - Multi Scale Modeling of Spin Transport in Organic Semiconductors — •Erik R. McNellis, Shayan Hemmatiyan, Amaury Melo Souza, Sebastian Müller, and Jairo Sinova
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16:45 |
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15 min. coffee break
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17:00 |
TT 21.5 |
High-pressure and nonlinear elastic response of solids: Example of carbon allotropes — •Pasquale Pavone, Rostam Golesorkhtabar, Stefan Kontur, and Claudia Draxl
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17:15 |
TT 21.6 |
Calculations of temperature dependent resistivity for transition metals from the first principles — •David Wagenknecht, Ilja Turek, and Karel Carva
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17:30 |
TT 21.7 |
Ab Initio Molecular Dynamics Study of Conjugated Polymer Systems: The Elusive Localization of the Polaron — •Håkan W. Hugosson, Amina Mirsakiyeva, and Anna Delin
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