Reproducibility 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...
Publications
2 shownFirst 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...
Frequent Co-Authors
Researcher Info
- h-index
- 2
- Publications
- 2
- Citations
- 15,065
- Institution
- Royal Holloway University of London
External Links
Identifiers
- ORCID
- 0000-0002-8715-5835
Impact Metrics
h-index
2
h-index: Number of publications with at least h citations each.