MM 18: Topical session: Integrated computational materials engineering for design of new materials IV
Tuesday, March 8, 2016, 10:15–11:45, H39
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10:15 |
MM 18.1 |
Topical Talk:
Robust crystal-structure prediction with structure maps — •Thomas Hammerschmidt
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10:45 |
MM 18.2 |
Better (random) walking through chemistry: how not to get lost in vast configurational spaces — •Chiara Panosetti, Konstantin Krautgasser, Dennis Palagin, Karsten Reuter, and Reinhard Maurer
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11:00 |
MM 18.3 |
Chemically-motivated coordinates and their potential role in efficient materials structure search — •Konstantin Krautgasser, Chiara Panosetti, Dennis Palagin, Karsten Reuter, and Reinhard Maurer
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11:15 |
MM 18.4 |
Tight-binding parameterizations across the periodic table — •Jan Jenke, Alvin Ladines, Thomas Hammerschmidt, David G. Pettifor, and Ralf Drautz
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11:30 |
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15 min. coffee break
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