Programm (PDF version with travel information)
Tuesday 22.07.2025
| 12:15 - 12:30 | Welcome |
| 12:30 - 13:45 | Lunch at Akademiezentrum Raitenhaslach |
| 13:45 - 14:15 | Equivariant Neural Network Machine Learning for Dynamic Electronic Structure |
| Manuel Grumet (Prof. Egger) | |
| 14:15 - 14:45 | Rigorous Benchmark of Implicit Electrolyte Models |
| Alessandro Mangiameli (Prof. Stein) | |
| 14:45 - 15:15 | A strongly coupled system perspective on hybrid solvation models |
| Mohammad Rahbar (Prof. Stein) | |
| 15:30 - 16:00 | Coffee break |
| 16:00 - 16:30 | Computational Screening of Potential Metal Nanocluster Precursors for ZIF-8 Encapsulation |
| Poonam (Prof. Gagliardi) | |
| 16:30 - 17:00 | Accelerating Molecular Energy Prediction via DimeNet-Transformer-GP Fusion |
| Zhaosu Gu (Prof. Gagliardi) | |
| 17:00 - 17:30 | Modeling Electron-Vibrational Interactions: From Ab Initio Parameterization to Tensor Network Methods |
| Maximilian Dorfner (Prof. Ortmann) | |
| 17:30 - 18:00 | Optical properties for large systems using the linear scaling Wannier optics approach |
| Konrad Merkel (Prof. Ortmann) | |
| 18:00 - 20:15 | Dinner at Klosterhof Raitenhaslach |
Wednesday 23.07.2025
| 08:00 - 08:30 | Breakfast Hotel Burgblick |
| 09:00 - 09:30 | Machine Learning Potentials for Prior Estimation and Multifidelity Sampling in Global Atomic Structure Optimization |
| Casper Larsen (Prof. Rinke) | |
| 09:30 - 10:00 | Machine Learning Accelerated Descriptor Design for Catalyst Discovery in CO2 to Methanol Conversion |
| Prajwal Pisal (Prof. Rinke) | |
| 10:00 - 10:30 | Physics-informed kernel-based machine learning for finite-temperature Hamiltonians |
| Martin Schwade (Prof. Egger) | |
| 10:30 - 11:00 | Coffee break |
| 11:00 - 11:30 | Identifying Mobile Ions in Solid Electrolytes from Machine Learning Potentials and Raman Spectroscopy |
| Waldemar Kaiser (Prof. Egger) | |
| 11:30 - 12:00 | Learning Non-Local Molecular Interactions via Equivariant Local Representations and Charge Equilibration |
| Michal Sanocki (Prof. Zavadlav Koller) | |
| 12:00 - 12:30 | From Training to Deployment: Scalable Molecular Dynamics with Machine Learning Potentials |
| Weilong Chen (Prof. Zavadlav Koller) | |
| 12:30 - 13:45 | Lunch at Akademiezentrum Raitenhaslach |
| 13:45 - 15:30 | Poster presentation workshop | General Assembly |
| Heidi Henrickson | AMC Core Members | |
| 15:30 - 16:00 | Coffee break | |
| 16:00 - 17:45 | Pitching your next manuscript to your research group leader | Strategy Meeting |
| Heidi Henrickson | AMC Board Members | |
| 18:00 - 20:15 | Dinner at Hotel Post Burghausen |
Thursday 24.07.2025
| 08:00 - 08:30 | Breakfast Hotel Burgblick |