08:00
09:00
10:00
11:00
12:00
13:00
14:00
15:00
16:00
17:00
18:00
19:00
20:00
21:00
22:00
›8:45 (15min)
8:45 - 9:00 (15min)
WE-Heraeus Foundation Introduction
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›9:00 (45min)
9:00 - 9:45 (45min)
Spectra Prediction and Peak Assignment using Graph Neural Networks
Annika Bande
›9:45 (45min)
9:45 - 10:30 (45min)
Accurate XPS predictions of amorphous materials: A machine-learning model combining DFT and GW
Dorothea Golze
›10:30 (30min)
10:30 - 11:00 (30min)
Coffee break
11:00 - 12:00 (1h)
Vibrational spectroscopy of molecules, condensed phases & interfaces using machine learning and quantum statistical mechanics
Venkat Kapil
›12:00 (1h45)
12:00 - 13:45 (1h45)
Lunch
›13:45 (45min)
13:45 - 14:30 (45min)
Phonons and anharmonicity in the time of machine-learning interatomic potentials
Aloïs Castellano
›14:30 (45min)
14:30 - 15:15 (45min)
Enhancing Vibrational Spectroscopy Predictions Using Machine Learning
Ke Chen
›15:15 (30min)
15:15 - 15:45 (30min)
Coffee break
›15:45 (1h15)
15:45 - 17:00 (1h15)
Contributed talks
Della Valle Andrea, Laurens de Boer, Max Großmann, Daria M. Tomecka, Joël Eymery
›17:00 (1h30)
17:00 - 18:30 (1h30)
Poster session
19:00 - 22:30 (3h30)
Social dinner at Strofilia (Rue du Marché aux Porcs 11/13, 1000 Bruxelles)
