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 shownTransport coefficients from first-principles calculations
We present a method of modeling transport coefficients from first-principles calculations. We introduce the transport distribution that contains all electronic information and f...
Frequent Co-Authors
Researcher Info
- h-index
- 2
- Publications
- 2
- Citations
- 2,292
- Institution
- Fritz Haber Institute of the Max Planck Society
External Links
Identifiers
- ORCID
- 0000-0003-3523-6657
Impact Metrics
h-index
2
h-index: Number of publications with at least h citations each.