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Berlin 2024 – scientific programme

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MM: Fachverband Metall- und Materialphysik

MM 32: Developement of Calculation Methods I

Wednesday, March 20, 2024, 10:15–11:30, C 243

10:15 MM 32.1 Insights into Modelling Silica Aerogels: A Computational ApproachPrakul Pandit, Nina Borzecka, and •Ameya Rege
10:30 MM 32.2 Simulation of properties of anisotropic porous ceramics based on 3D reconstructed microstructures — •Radu Stefan Stirbu, Leontin Padurariu, Vlad Alexandru Lukacs, Fereshteh Falah Chamasemani, Roland Brunner, and Liliana Mitoseriu
10:45 MM 32.3 Full anharmonicity of transition states via ab initio machine-learning: Self-diffusion in tungsten — •Blazej Grabowski, Xi Zhang, and Sergiy Divinski
11:00 MM 32.4 Simulation of hot carrier generation and distribution in large plasmonic nanoparticles — •Simão João, Hanwen Jin, and Johannes Lischner
11:15 MM 32.5 Detecting vacancy defects in graphene nanoribbon: a Floquet-Bloch formalismGulshan Kumar, Shashikant Kumar, and •Prakash Parida
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