Mark Rayson
| Name | Mark Rayson |
| Work Groups |
Work Group 4 - Theory |
| Laboratory | Department Of Mathematics |
| Organisation | Lulea University of Technology |
| Areas of Research | Kohn-Sham density functional theory: methods, algorithms and implementation |
| Research Keywords | Density functional theory, linear scaling (low complexity) algorithms, large-scale |
| Areas of Future Interest | Multiscale modelling |
Selected Publications:
- Highly efficient method for Kohn-Sham density functional calculations of 500-10,000 atom systems
- Rapid iterative method for electronic-structure eigenproblems using localised basis functions. Computer Physics Communications
- Low-complexity method for large-scale self-consistent \textit{ab initio} electronic structure calculations without localization
- Vacancy-impurity complexes and limitations for implantation doping of diamond
- Self-interstitial aggregation in diamond
Brief CV
--- Methodological development and implementation of techniques
to solve the equations of many-body quantum mechanics using Kohn-Sham
density functional theory.