All Stories

  1. Large scale and linear scaling DFT with the CONQUEST code
  2. Towards surface diffusion potential mapping on atomic length scale
  3. Building bridges: matching density functional theory with experiment
  4. Hydrogen adsorption and diffusion around Si(0 0 1)/Si(1 1 0) corners in nanostructures
  5. Investigating individual arsenic dopant atoms in silicon using low-temperature scanning tunnelling microscopy
  6. Scalable Patterning of One-Dimensional Dangling Bond Rows on Hydrogenated Si(001)
  7. Atomistic Computer Simulations
  8. One-dimensional silicon nanolines in the Si(001):H surface
  9. Site-Dependent Ambipolar Charge States Induced by Group V Atoms in a Silicon Surface
  10. Model system for controlling strain in silicon at the atomic scale
  11. Van der Waals density functionals applied to solids
  12. Linear Scaling Constrained Density Functional Theory in CONQUEST
  13. Atomic-scale nanowires on Si(001): Cu on Bi
  14. Si atom adsorption and diffusion on Si(110)- ( 1 × 1 ) and ( 2 × 1 )
  15. Calculations for millions of atoms with density functional theory: linear scaling shows its potential
  16. The Energetics of Hut-Cluster Self-Assembly in Ge/Si(001) from Linear-Scaling DFT Calculations
  17. Introductory Remarks: Linear Scaling Methods
  18. Structure and Electrical Properties of Atomic-scale In-Bi Nanowire Arrays
  19. Adsorption of pentacene on a silicon surface
  20. An Open-Boundary, Time-Dependent Technique for Calculating Currents in Nanowires
  21. An embedding scheme based on quantum linear-scaling methods
  22. Recent progress in linear scalingab initioelectronic structure techniques
  23. Parallel sparse matrix multiplication for linear scaling electronic structure calculations
  24. Structure of atomically perfect lines of bismuth in the Si(001) surface
  25. Atomically perfect bismuth lines on Si(001)
  26. Bismuth-induced structures on Si(001) surfaces
  27. Length-scale ill conditioning in linear-scaling DFT
  28. A comparison of linear scaling tight-binding methods