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MM: Fachverband Metall- und Materialphysik

MM 14: Computational Materials Modelling - Methods I

Montag, 16. März 2020, 15:45–16:45, IFW D

	15:45	MM 14.1	Accuracy vs. efficiency? Towards ACKS2-based polarization in force fields — •Patrick Gütlein, Karsten Reuter, Harald Oberhofer, and Jochen Blumberger
	16:00	MM 14.2	Modified Becke-Johnson calculations using pseudopotential plane-wave approach: Systematic analysis — •Hazem Abu-Farsakh, Mohammad Abu-Jafar, and Abdallah Qteish
	16:15	MM 14.3	Optimized effective potentials to increase the accuracy of approximate proton transfer energy calculations in the excited state — •Pouya Partovi-Azar and Daniel Sebastiani
	16:30	MM 14.4	Assessing the accuracy of screened range-separated hybrids for bulk properties of semiconductors — •Stefan Alois Seidl, Bernhard Kretz, and David Alexander Egger