OpenResCaseStudiesRobertShaw_V1_20210916.pdf (173.52 kB)
Open Research Case Study: Creating new open-source software in computational chemistry
reportposted on 2021-10-14, 15:00 authored by Robert Shaw
Postdoctoral researcher Robert Shaw and colleagues in the Department of Chemistry have successfully engaged with open research through the development of open-source software project, libecpint.
This case study describes their approach to open research, lessons learnt and hopes for the future.
- There is no personal data or any that requires ethical approval
- The data complies with the institution and funders' policies on access and sharing
Sharing and access restrictions
- The data can be shared openly
- The file formats are open or commonly used
Methodology, headings and units
- Headings and units are explained in the files