Storage for compute project SNIC 2022/1-14
||Storage for compute project SNIC 2022/1-14|
||SNIC Small Storage|
||Michael Odelius <firstname.lastname@example.org>|
||2022-07-01 – 2023-07-01|
The scientific motivation of our research is detailed in proposal SNIC 2022/1-14, but a brief summary is that we are using quantum chemical calculations to investigate electronic properties in dynamical systems such as molecular liquids and hybrid perovskite solar cell materials.
Ab initio molecular dynamics simulations and periodic density functional theory calculations generate a lot of temporary files and data and also data that we are accumulating to be downloaded to our local computers for long-term data management. For an individual study, it typically includes trajectory files of several 1-10GB and electronic structure restart files of <1GB, and tens of thousands of files of sampled properties. We are several users in the group running several projects in parallel.