Restrict active space calculations of core level spectroscopy of transition metal complexes
Title: |
Restrict active space calculations of core level spectroscopy of transition metal complexes |
DNr: |
NAISS 2023/23-449 |
Project Type: |
NAISS Small Storage |
Principal Investigator: |
Meiyuan Guo <meiyuan.guo@kemi.uu.se> |
Affiliation: |
Lunds universitet |
Duration: |
2023-10-01 – 2024-10-01 |
Classification: |
10407 |
Keywords: |
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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.