Die DPG-Frühjahrstagung in Dresden musste abgesagt werden! Lesen Sie mehr ...
CPP 82: Computational Materials Modelling - Solids and Molecules (joint session MM/CPP)
Mittwoch, 18. März 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
|
|
|