Program
| 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 |
|
| 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) |
|
| 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 - . |
|
|
