Restrict active space calculations of core level spectroscopy of transition metal complexes
Dnr:
NAISS 2023/23-449
Type:
NAISS Small Storage
Principal Investigator:
Meiyuan Guo
Affiliation:
Lunds universitet
Start Date:
2023-10-01
End Date:
2024-10-01
Primary Classification:
10407: Theoretical Chemistry
Webpage:
Allocation
- Centre Storage at NSC: 4000 GiB
Abstract
This is a complementary request to allocate storage for our project "Restrict active space calculations of core level spectroscopy of transition metal complexes" SNIC 2018/7-47.
Scientific abstract and content same as for SNIC 2018/7-47.
The project involves performing storage intensive computational chemistry research, and includes storage of a large set of files associated with on-going computational projects.