User profiles for D. R. Bowler
David BowlerProfessor of Physics, University College London Verified email at ucl.ac.uk Cited by 13885 |
Tight-binding modelling of materials
CM Goringe, DR Bowler… - Reports on Progress in …, 1997 - iopscience.iop.org
The tight-binding method of modelling materials lies between the very accurate, very expensive,
ab initio methods and the fast but limited empirical methods. When compared with ab …
ab initio methods and the fast but limited empirical methods. When compared with ab …
Methods in electronic structure calculations
DR Bowler, T Miyazaki - Reports on Progress in Physics, 2012 - iopscience.iop.org
Linear-scaling methods, or methods, have computational and memory requirements which
scale linearly with the number of atoms in the system, N, in contrast to standard approaches …
scale linearly with the number of atoms in the system, N, in contrast to standard approaches …
Recent progress in linear scaling ab initio electronic structure techniques
DR Bowler, T Miyazaki, MJ Gillan - Journal of Physics …, 2002 - iopscience.iop.org
We describe recent progress in developing linear scaling ab initio electronic structure methods,
referring in particular to our highly parallel code CONQUEST. After reviewing the state of …
referring in particular to our highly parallel code CONQUEST. After reviewing the state of …
Van der Waals density functionals applied to solids
The van der Waals density functional (vdW-DF) of M. Dion et al.[Phys. Rev. Lett. 92, 246401
(2004)] is a promising approach for including dispersion in approximate density functional …
(2004)] is a promising approach for including dispersion in approximate density functional …
Chemical accuracy for the van der Waals density functional
The non-local van der Waals density functional (vdW-DF) of Dion et al (2004 Phys. Rev. Lett.
92 246401) is a very promising scheme for the efficient treatment of dispersion bonded …
92 246401) is a very promising scheme for the efficient treatment of dispersion bonded …
[HTML][HTML] Quantum engineering at the silicon surface using dangling bonds
Individual atoms and ions are now routinely manipulated using scanning tunnelling
microscopes or electromagnetic traps for the creation and control of artificial quantum states. For …
microscopes or electromagnetic traps for the creation and control of artificial quantum states. For …
Gate controlling of quantum interference and direct observation of anti-resonances in single molecule charge transport
…, G Li, A Rostamian, H Wang, Z Wang, DR Bowler… - Nature materials, 2019 - nature.com
Quantum interference can profoundly affect charge transport in single molecules, but experiments
can usually measure only the conductance at the Fermi energy. Because, in general, …
can usually measure only the conductance at the Fermi energy. Because, in general, …
Calculations for millions of atoms with density functional theory: linear scaling shows its potential
DR Bowler, T Miyazaki - Journal of Physics: Condensed Matter, 2010 - iopscience.iop.org
An overview of the CONQUEST linear scaling density functional theory (DFT) code is given,
focusing particularly on the scaling behaviour on modern high-performance computing …
focusing particularly on the scaling behaviour on modern high-performance computing …
Recent progress with large‐scale ab initio calculations: the CONQUEST code
DR Bowler, R Choudhury, MJ Gillan… - physica status solidi …, 2006 - Wiley Online Library
While the success of density functional theory (DFT) has led to its use in a wide variety of
fields such as physics, chemistry, materials science and biochemistry, it has long been …
fields such as physics, chemistry, materials science and biochemistry, it has long been …
Doping Nature of Native Defects in
…, A Scarfato, A Ubaldini, H Berger, DR Bowler… - Physical review …, 2014 - APS
The transition-metal dichalcogenide 1 T− TiSe 2 is a quasi-two-dimensional layered
material with a charge density wave (CDW) transition temperature of T CDW≈ 200 K. Self-doping …
material with a charge density wave (CDW) transition temperature of T CDW≈ 200 K. Self-doping …