SKM 2023 – wissenschaftliches Programm

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MM: Fachverband Metall- und Materialphysik

MM 8: Development of Computational Methods: Diverse Topics and Machine Learning

Montag, 27. März 2023, 15:45–17:45, SCH A 251

15:45 MM 8.1 Adaptively Compressed Exchange in LAPW — •Davis Zavickis, Kristians Kacars, Janis Cimurs, and Andris Gulans
16:00 MM 8.2 How much laser power can two-photon 3D printed microoptics withstand? — •Sebastian Klein, Pavel Ruchka, Tobias Steinle, and Harald Giessen
16:15 MM 8.3 Molecular Dynamics Simulation of Selective Laser MeltingFabio Oelschläger, Azad Gorgis, Dominc Klein, Sarah Müller, and •Johannes Roth
16:30 MM 8.4 Exploring Enhanced Sampling Concepts based on Boltzmann Generators — •David Greten, Karsten Reuter, and Johannes T. Margraf
  16:45 15 min. break
17:00 MM 8.5 When does the Tamura model of phonon-isotope scattering break down? — •Nakib Protik and Claudia Draxl
17:15 MM 8.6 Physics-inspired Machine Learning for Predicting Ionization Energies of Electronically Localized Systems — •Ke Chen, Christian Kunkel, Bingqing Cheng, Karsten Reuter, and Johannes T. Margraf
17:30 MM 8.7 Kernel Charge Equilibration: Machine Learned Interatomic Potentials With Full Long-Range Electrostatics — •Martin Vondrak, Johannes T. Margraf, and Karsten Reuter
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