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Dresden 2020 – scientific programme

The DPG Spring Meeting in Dresden had to be cancelled! Read more ...

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CPP: Fachverband Chemische Physik und Polymerphysik

CPP 82: Computational Materials Modelling - Solids and Molecules (joint session MM/CPP)

Wednesday, March 18, 2020, 15:45–17:00, IFW B

15:45 CPP 82.1 Molecular Adsorption Potential Energy Surfaces and their Reproducibility — •Lukas Hörmann, Andreas Jeindl, and Oliver T. Hofmann
16:00 CPP 82.2 The role of structural symmetry for proton tautomerization in aromatic molecules — •Antonios Raptakis, Alexander Croy, Rafael Gutierrez, Arezoo Dianat, and Gianaurelio Cuniberti
16:15 CPP 82.3 First-principles description of phase transitions in solids with rotating molecules and diffusing atoms — •Sergei Simak
16:30 CPP 82.4 Development of a Neural Network Potential for Metal-Organic Frameworks — •Marius Herbold, Marco Eckhoff, and Jörg Behler
16:45 CPP 82.5 Analysis of organic-inorganic thermal interfaces in Metal-Organic Frameworks — •Sandro Wieser, Tomas Kamencek, Rochus Schmid, Johannes Peter Dürholt, Natalia Bedoya Martínez, and Egbert Zojer
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