Workshop Objectives
- Learn about the best practices of using ML in electronic structure, quantum dynamics, and related simulations
- Get an overview of theoretical background for corresponding computational methods
- Learn practical aspects of such calculations
Schedule
August 14, 2024, Wednesday
Arrivals and Welcome dinner.
August 15, 2024, Thursday: Day 1
| Time | Name | Topic |
|---|---|---|
| 9:00 am - 9:15 am | Alexey Akimov | Introductory remarks |
| 9:15 am - 10:00 am | Daniel Crawford | MolSSI presentation |
| 10:00 am - 10:40 am | Zhenggang Lan (remote) | Research presentation |
| 10:40 am - 11:20 am | Maksim Kulichenko | Research presentation |
| 11:20 am - 12:00 am | Rafael Gomez-Bombarelli (remote) | Research presentation |
| Noon - 1:30 pm | Lunch break | |
| 1:30 pm - 2:10 pm | Michele Pavanello | Research presentation |
| 2:10 pm - 2:50 pm | Mark Tuckerman | Research presentation |
| 2:50 pm - 3:30 pm | Nitin Murthy (Johannes Hachmann group) | |
| 3:30 pm - 4:10 pm | Mohammad Shakiba (Alexey Akimov group) | Research presentation |
| 4:10 pm - 5:00 pm | Discussions |
August 16, 2024, Friday: Day 2
| Time | Name | Topic |
|---|---|---|
| 9:00 am - 9:40 am | Pavlo Dral (remote) | Research presentation |
| 9:40 am - 10:20 am | Linjun Wang (remote) | Research presentation |
| 10:20 am - 11:00 am | Xiang Sun (remote) | Research presentation |
| 11:00 am - 11:40 am | Alexei Kananenka | Research presentation |
| 11:40 am - 12:00 am | Discussions | |
| Noon - 1:30 pm | Lunch break | |
| 1:30 pm - 2:10 pm | Alexey Akimov | Research presentation |
| 2:10 pm - 2:50 pm | Oleg Prezhdo | Research presentation |
| 2:50 pm - 3:30 pm | Dmitri Kilin | Research presentation |
| 3:30 pm - 4:10 pm | Johannes Hachmann (remote) | Research presentation |
| 4:10 pm - 5:50 pm | Closing remarks. Discussions |
August 17, 2024, Saturday
Departures.