30 results on '"Bowler, D"'
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2. Density functional theory: a tale of success in three codes
3. DSSC anchoring groups: a surface dependent decision
4. Non-adiabatic simulations of current-related structural transformations in metallic nanodevices
5. The interaction of Cu with Bi nanolines on H-passivated Si(001): anab initioanalysis
6. Calculations for millions of atoms with density functional theory: linear scaling shows its potential
7. Introductory remarks
8. Pseudo-atomic orbitals as basis sets for the O(N) DFT code CONQUEST
9. Accuracy of order-Ndensity-functional theory calculations on DNA systems using CONQUEST
10. Introductory Remarks: Linear Scaling Methods
11. Automatic data distribution and load balancing with space-filling curves: implementation in CONQUEST
12. Atomic structure of misfit dislocations at InAs/GaAs(110)
13. Dynamical simulation of inelastic quantum transport
14. 1D semiconducting atomic chain of In and Bi on Si(001)
15. Correlated electron–ion dynamics: the excitation of atomic motion by energetic electrons
16. Correlated electron–ion dynamics with open boundaries: formalism
17. Beyond Ehrenfest: correlated non-adiabatic molecular dynamics
18. Power dissipation in nanoscale conductors: classical, semi-classical and quantum dynamics
19. Open-boundary Ehrenfest molecular dynamics: towards a model of current induced heating in nanowires
20. Diffusion of a polaron in dangling bond wires on Si(001)
21. Structure of Bi nanolines: using tight binding to search parameter space
22. A simple, effective tight-binding parametrization for Si-Ge interactions on Si(001)
23. Recent progress in linear scalingab initioelectronic structure techniques
24. An experimental-theoretical study of the behaviour of hydrogen on the Si(001) surface
25. Tight binding molecular dynamics studies of the viscosity of liquid selenium
26. Hydrogen diffusion on Si(001) studied with the local density approximation and tight binding
27. The interaction of Cu with Bi nanolines on H-passivated Si(001): an ab initio analysis.
28. Atomic-scale nanowires: physical and electronic structure.
29. Accuracy of order-N density-functional theory calculations on DNA systems using CONQUEST.
30. Recent progress in linear scaling ab initio electronic structure techniques.
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