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Program

Week Mon. 26 Tue. 27 Wed. 28 List

Tuesday, May 27, 2025

08:00

09:00

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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)

WE-Heraeus Foundation Introduction

›9:00 (45min)

Spectra Prediction and Peak Assignment using Graph Neural Networks
Annika Bande

›9:45 (45min)

Accurate XPS predictions of amorphous materials: A machine-learning model combining DFT and GW
Dorothea Golze

›10:30 (30min)

Coffee break

›11:00 (1h)

Vibrational spectroscopy of molecules, condensed phases & interfaces using machine learning and quantum statistical mechanics
Venkat Kapil

›12:00 (1h45)

Lunch

›13:45 (45min)

Phonons and anharmonicity in the time of machine-learning interatomic potentials
Aloïs Castellano

›14:30 (45min)

Enhancing Vibrational Spectroscopy Predictions Using Machine Learning
Ke Chen

›15:15 (30min)

Coffee break

›15:45 (1h15)

Contributed talks
Della Valle Andrea, Laurens de Boer, Max Großmann, Daria M. Tomecka, Joël Eymery

›17:00 (1h30)

Poster session

›19:00 (3h30)

Social dinner at Strofilia (Rue du Marché aux Porcs 11/13, 1000 Bruxelles)

Session

Speech

Logistics

Break

Tour

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