MM 65: Topical session: Data driven materials design - uncertainty approaches
Thursday, March 23, 2017, 15:45–16:30, BAR 205
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15:45 |
MM 65.1 |
Validation and uncertainty assessment of bond-order potentials for transition metals — •Matous Mrovec, Thomas Hammerschmidt, and Ralf Drautz
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16:00 |
MM 65.2 |
Numerical Quality Control for DFT–based Materials Databases — C. Carbogno, K. S. Thygesen, •B. Bieniek, C. Draxl, L. Ghiringhelli, A. Gulans, O. T. Hofmann, K. W. Jacobsen, S. Lubeck, J. J. Mortensen, M. Strange, E. Wruss, and M. Scheffler
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16:15 |
MM 65.3 |
Sensitivity analyses for large sets of density functional theory calculations — •Jan Janßen, Tilmann Hickel, and Jörg Neugebauer
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