COMPUTE course in Computational Chemistry
Dnr:
SNIC 2022/23-646
Type:
SNIC Small Storage
Principal Investigator:
Ulf Ryde
Affiliation:
Lunds universitet
Start Date:
2023-01-01
End Date:
2023-09-01
Primary Classification:
10407: Theoretical Chemistry
Allocation
- Centrestorage nobackup at LUNARC: 5000 GiB
Abstract
We apply for computer time to be used in the COMPUTE course in Computational Chemistry, given during spring 2023. We will have 10 computational exercises in QM calculations, MD simulations and free-energy perturbations.
There will be ~10 participants, mostly PhD students.
The course was given last time in 2020.