Dresden 2020 – scientific programme
The DPG Spring Meeting in Dresden had to be cancelled! Read more ...
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MM: Fachverband Metall- und Materialphysik
MM 17: Computational Materials Modelling - Methods II
Monday, March 16, 2020, 17:00–17:45, IFW D
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17:00 | MM 17.1 | Phase Transitions Investigated by Variationally Enhanced Sampling with Permutationally Invariant Collective Variables — •Bin Song, Gareth Tribello, Kurt Kremer, and Omar Valsson |
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17:15 | MM 17.2 | New basis functions and optimization algorithms for Variationally Enhanced Sampling — •Benjamin Pampel and Omar Valsson |
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17:30 | MM 17.3 | Self-consistent site-dependent DFT+U(+V) for defects — Chiara Ricca, Iurii Timrov, Matteo Cococcioni, Nicola Marzari, and •Ulrich Aschauer |