| Thursday, June 5, 2025 | |||
|---|---|---|---|
| Time(PDT) | Topic | Instructor | |
| 8:00 am - 9:00 am | Introduction and logistics | Aiichiro Nakano | |
| 9:00 am - 9:40 am | Molecular dynamics simulation basics | Priya Vashishta | |
| 9:40 am - 10:20 am | Density functional theory basics | Pratibha Dev | |
| 10:20 am - 11:00 am | Quantum molecular dynamics lecture | Aiichiro Nakano | |
| 11:00 am - 12:00 pm | Lunch break | ||
| 12:00 pm - 1:30 pm | Quantum molecular dynamics hands-on: QXMD code | Nabankur Dasgupta, Taufeq Razakh, Anikeya Aditya, Suryakanti Debata | |
| 1:30 pm - 2:30 pm | Reactive molecular dynamics lecture | Ken-ichi Nomura | |
| Friday, June 6, 2025 | |||
| Time(PDT) | Topic | Instructor | |
| 8:00 am - 9:30 am | Reactive molecular dynamics hands on: RXMD code | Marco Olguin, Tian Sang, Nitish Baradwaj, Pranab Sarker | |
| 9:30 am - 10:30 am | Machine learning and AI lecture | Ken-ichi Nomura | |
| 10:30 am - 11:30 am | Lunch break | ||
| 11:30 am - 1:30 pm | Machine learning and AI hands-on | Tian Sang, Marco Olguin, Ruru Ma | |
| 1:30 pm - 2:30 pm | Participant presentations | Pratibha Dev, Tao Wei | |