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Mi, 10:45 |
MM 23.3 |
Atomistic description of self-diffusion in molybdenum — Daria Smirnova, Yanyan Liang, Grisell Diaz Leines, Sergei Starikov, Ning Wang, •Matous Mrovec, Ralf Drautz, Davide Sangiovanni, Igor Abrikosov, and Maxim Popov
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Mi, 11:00 |
MM 23.4 |
The Anharmonicity of Al self-diffusion — Raynol Dsouza, •Liam Huber, Blazej Grabowski, and Joerg Neugebauer
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Mi, 11:15 |
MM 23.5 |
Kinetic Monte Carlo simulations of vacancy diffusion in non- dilute Ni-X (X=Re,W,Ta) alloys — •Maximilian Grabowski, Jutta Rogal, and Ralf Drautz
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Mi, 11:45 |
MM 23.6 |
Density-gradient-free variable in exchange-correlation functionals for detecting inhomogeneities in the electron density — •Fabien Tran and Peter Blaha
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Mi, 12:00 |
MM 23.7 |
Advanced Path Integral Methods - Beyond the Benchmarks — •Venkat Kapil and Michele Ceriotti
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Mi, 12:15 |
MM 23.8 |
Performance of van der Waals Methods at Non-Equilibrium Molecular Geometries — •Dennis Barton, Yasmine Al-Hamdani, and Alexandre Tkatchenko
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Mi, 12:30 |
MM 23.9 |
Limitations of the DFT–1/2 method for covalent semiconductors and transition-metal oxides — •Jan Doumont, Fabien Tran, and Peter Blaha
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Mi, 12:45 |
MM 23.10 |
Implementation of stress tensor in LAPW method with emphasis on WIEN2k — •Kamal Belbase, Andreas Tröster, and Peter Blaha
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Mi, 13:00 |
MM 23.11 |
Parallelization and Acceleration of the FLEUR Code: New Possibilities for All-electron Density Functional Theory — •Uliana Alekseeva, Daniel Wortmann, and Stefan Blügel
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Mi, 10:15 |
MM 24.1 |
Topical Talk:
Correlating electrical and mechanical behaviour of polymer supported metal thins with in-situ methods — •Megan J. Cordill
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