SUPR
Quantum Chemistry @ Rahmlab: Temp storage & software
Dnr:

NAISS 2023/23-423

Type:

NAISS Small Storage

Principal Investigator:

Martin Rahm

Affiliation:

Chalmers tekniska högskola

Start Date:

2023-10-01

End Date:

2024-10-01

Primary Classification:

10407: Theoretical Chemistry

Allocation

Abstract

This 1500 GiB workspace is supporting ongoing research in quantum chemistry. The type of chemistry and physics simulation software used for this project are diverse and detailed in SNIC 2021/1-17. In addition to enabling medium-term storage for active research, the storage space is required to periodically contain large numbers of temporary files, generated e.g., via molecular dynamics simulation and structurer search optimization. In addition, the requested storage resources are needed to contain various specialized software, actively used, that are not present as modules on C3SE systems.