The University of SheffieldBrowse
OpenResCaseStudiesRobertShaw_V1_20210916.pdf (173.52 kB)
Download file

Open Research Case Study: Creating new open-source software in computational chemistry

Download (173.52 kB)
report
posted 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.

History

References

Ethics

There is no personal data or any that requires ethical approval

Policy

The data complies with the institution and funders' policies on access and sharing

Sharing and access restrictions

The data can be shared openly

Data description

  • The file formats are open or commonly used

Methodology, headings and units

  • Headings and units are explained in the files

Usage metrics

Department of ChemistryDepartment of Chemistry

Categories

Keywords

Open source software packagesComputational ChemistryOpen Software

Licence

CC BY 4.0

Exports