First principles methods using CASTEP
Abstract The CASTEP code for first principles electronic structure calculations will be described. A brief, non-technical overview will be given and some of the features and cap...
Publications
3 shownReproducibility in density functional theory calculations of solids
A comparison of DFT methods Density functional theory (DFT) is now routinely used for simulating material properties. Many software packages are available, which makes it challe...
Frequent Co-Authors
Researcher Info
- h-index
- 3
- Publications
- 3
- Citations
- 15,707
- Institution
- University of Cambridge
External Links
Identifiers
- ORCID
- 0000-0002-9684-5432
Impact Metrics
h-index
3
h-index: Number of publications with at least h citations each.