Monday, May 26, 2025
Time | Event | (+) |
08:30 - 08:45 | Registration - At the conference venue, TBA | |
08:45 - 09:00 | Welcome address | |
09:00 - 09:45 | Spectroscopy and AI in semiconductor technology research - Michiel J. van Setten | |
09:45 - 10:30 | Conditioning on Spectra for Generative Crystal Design - Pierre-Paul De Breuck | |
10:30 - 11:00 | Coffee break | |
11:00 - 12:00 | High-throughput calculations of vibrational properties and their analysis - Xavier Gonze | |
12:00 - 13:45 | Lunch | |
13:45 - 14:30 | Machine Learning for Phonon Engineering: Toward Predictive Thermal and Spectroscopic Modeling - Girogia Fugallo | |
14:30 - 15:15 | Explicit Electrons in Machine Learning Potentials - Toon Verstraelen | |
15:15 - 15:45 | Coffee break | |
15:45 - 17:00 | Contributed talks - Malte Grunert, Nathalie Brun, Dario Baum, Arno Annys, Sabana Shabnam | |
17:00 - 17:35 | Flash talks (5min/person) - Sourour Ayari, Scheffler Johannes, Gorfer Alexander, Adhyatma Abdurrahman, Karimi Nejad Sara, Hakeem Luqman, Marco Stecca | |
17:35 - 18:30 | Poster session |
Tuesday, May 27, 2025
Time | Event | (+) |
08:45 - 09:00 | WE-Heraeus Foundation Introduction - - | |
09:00 - 09:45 | Spectra Prediction and Peak Assignment using Graph Neural Networks - Annika Bande | |
09:45 - 10:30 | Accurate XPS predictions of amorphous materials: A machine-learning model combining DFT and GW - Dorothea Golze | |
10:30 - 11:00 | Coffee break | |
11:00 - 12:00 | Vibrational spectroscopy of molecules, condensed phases & interfaces using machine learning and quantum statistical mechanics - Venkat Kapil | |
12:00 - 13:45 | Lunch | |
13:45 - 14:30 | Phonons and anharmonicity in the time of machine-learning interatomic potentials - Aloïs Castellano | |
14:30 - 15:15 | Enhancing Vibrational Spectroscopy Predictions Using Machine Learning - Ke Chen | |
15:15 - 15:45 | Coffee break | |
15:45 - 17:00 | Contributed talks - Della Valle Andrea, Laurens de Boer, Max Großmann, Daria M. Tomecka, Joël Eymery | |
17:00 - 18:30 | Poster session | |
19:00 - 22:30 | Social dinner at Strofilia (Rue du Marché aux Porcs 11/13, 1000 Bruxelles) |
Wednesday, May 28, 2025
Time | Event | (+) |
09:00 - 09:45 | Deep Generative Models for Tractable Probabilistic Inference over Molecular Graphs - Vaclav Smidl | |
09:45 - 10:30 | Decentralized materials research data management, curation and dissemination for accelerated materials discovery - Matthew L. Evans | |
10:30 - 11:00 | Coffee break | |
11:00 - 12:00 | Data- and theory-informed approaches for accelerating the capture and interpretation of core-level spectra - Maria K. Y. Chan | |
12:00 - 13:00 | Lunch | |
13:00 - 13:45 | Automatic Quantification of Transition Metal X-ray Photoelectron Spectra using Convolutional Neural Networks - Lukas Pielsticker | |
13:45 - 15:00 | Contributed talks - Mandira Das, Thomas P. van Waas, Trung-Phuc Vo, Strocov Vladimir, Frederico Zecchi | |
15:00 - 15:15 | Closing remarks, Best poster award | |
15:15 - 18:30 | Departure - . |