MM 62: Methods in Computational Materials Modelling IV: Method development
Donnerstag, 10. März 2016, 15:45–17:45, H53
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15:45 |
MM 62.1 |
Functional renormalization and mean-field approach to multi-band systems with spin-orbit coupling: Application to the Rashba model with attractive interaction — Giulio Schober, •Kay-Uwe Giering, Michael Scherer, Carsten Honerkamp, and Manfred Salmhofer
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16:00 |
MM 62.2 |
Advanced Brillouin zone sampling for first-principles calculations — •Philip Hasnip and Matthew Probert
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16:15 |
MM 62.3 |
The electronic structure of transition metal phthalocyanines: the influence of electron correlation — •Iulia Emilia Brumboiu, Soumyajyoti Haldar, Johann Lüder, Olle Eriksson, Heike C. Herper, Barbara Brena, and Biplab Sanyal
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16:30 |
MM 62.4 |
Hybrid-functional calculations of iron defects in ferropericlase — •Sebastián Alarcón Villaseca, Sergey V. Levchenko, and Matthias Scheffler
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16:45 |
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15 min. coffee break
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17:00 |
MM 62.5 |
The contribution has been withdrawn.
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17:15 |
MM 62.6 |
Efficient "On-the-Fly" Calculation of Raman Spectra from Ab-Initio Molecular Dynamics: Application to Lithium-Sulfur Batteries — •Pouya Partovi-Azar, Thomas D. Kühne, and Payam Kaghaychi
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17:30 |
MM 62.7 |
The contribution has been moved to TT 13.11.
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