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.
EthicsThere is no personal data or any that requires ethical approval
PolicyThe data complies with the institution and funders' policies on access and sharing
Sharing and access restrictionsThe 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