Calculations for millions of atoms with density functional theory: linear scaling shows its potential von Bowler, D R, Miyazaki, T

Volltext

Quantum engineering at the silicon surface using dangling bonds von Schofield, S. R., Studer, P., Hirjibehedin, C. F., Curson, N. J., Aeppli, G., Bowler, D. R.

Volltext

O(N) methods in electronic structure calculations von Bowler, D R, Miyazaki, T

Volltext

Atomic-scale nanowires: physical and electronic structure von Bowler, D R

Volltext

Recent progress with large-scale ab initio calculations: the CONQUEST code von Bowler, D. R., Choudhury, R., Gillan, M. J., Miyazaki, T.

Volltext

Δ Self-Consistent Field Method for Natural Anthocyanidin Dyes von Terranova, U, Bowler, D. R

Volltext

Self-assembled nanowires on semiconductor surfaces von OWEN, J. H. G, MIKI, K, BOWLER, D. R

Volltext

Density functional theory: a tale of success in three codes von Bowler, D R

Volltext

Insight into the Charge Density Wave Gap from Contrast Inversion in Topographic STM Images von Spera, M., Scarfato, A., Pasztor, A., Giannini, E., Bowler, D. R., Renner, Ch

Volltext

Beyond Ehrenfest: correlated non-adiabatic molecular dynamics von Horsfield, Andrew P, Bowler, D R, Fisher, A J, Todorov, Tchavdar N, Sánchez, Cristián G

Volltext

Dynamical simulation of inelastic quantum transport von McEniry, Eunan J, Bowler, D R, Dundas, Daniel, Horsfield, Andrew P, Sánchez, Cristián G, Todorov, Tchavdar N

Volltext

Molecular conduction: Do time-dependent simulations tell you more than the Landauer approach? von Sánchez, Cristián G., Stamenova, Maria, Sanvito, Stefano, Bowler, D. R., Horsfield, Andrew P., Todorov, Tchavdar N.

Volltext

Power dissipation in nanoscale conductors: classical, semi-classical and quantum dynamics von Horsfield, Andrew P, Bowler, D R, Fisher, A J, Todorov, Tchavdar N, Montgomery, M J

Volltext

Non-adiabatic simulations of current-related structural transformations in metallic nanodevices von TODOROVIC, M, BOWLER, D. R

Volltext

DSSC anchoring groups: a surface dependent decision von O'Rourke, C, Bowler, D R

Volltext

The transfer of energy between electrons and ions in solids von Horsfield, A P, Bowler, D R, Ness, H, Sánchez, C G, Todorov, T N, Fisher, A J

Volltext

Recent progress in linear scaling ab initio electronic structure techniques von Bowler, D R, Miyazaki, T, Gillan, M J

Volltext

Stress relief as the driving force for self-assembled bi nanolines von Owen, J H G, Miki, K, Koh, H, Yeom, H W, Bowler, D R

Volltext

Local Real-Space View of the Achiral 1T−TiSe2 2×2×2 Charge Density Wave von Hildebrand, B, Jaouen, T, Mottas, M-L, Monney, G, Barreteau, C, Giannini, E, Bowler, D R, Aebi, P

Volltext

Tight-binding modelling of materials von Goringe, C M, Bowler, D R, Hernández, E

Volltext