Berlin 2012 –
scientific programme
MM 2: Computational Materials Modelling I - Multiscale: Fundamentals
Monday, March 26, 2012, 10:15–11:45, TC 006
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10:15 |
MM 2.1 |
FHI-aims becomes embedded: full-potential QM/MM-approach — •Daniel Berger, Volker Blum, and Karsten Reuter
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10:30 |
MM 2.2 |
Atomistic and continuum regions: Effects of coupling — •Frohmut Rösch and Hans-Rainer Trebin
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10:45 |
MM 2.3 |
A Two Scale Approach to Model the Freeze Casting Process — •Frank Wendler, Marcel Huber, and Britta Nestler
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11:00 |
MM 2.4 |
Molecular Dynamics Simulations of Laser Ablation in Metals: Parmeter Dependence, Double Pulses, and Extended Models — •Johannes Roth, Johannes Karlin, Marc Sartison, Armin Krauss, and Hans-Rainer Trebin
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11:15 |
MM 2.5 |
Computing Raman and infrared frequencies of nanostructures — •Felix Zörgiebel, Jens Kunstmann, Daijiro Nozaki, and Gianaurelio Cuniberti
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11:30 |
MM 2.6 |
Fast, stable convergence of electronic structure calculations for nanomaterials — •Philip Hasnip
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