Publications
126 results found
Horsfield AP, Tong L, Soh Y-A, et al., 2010, How to use a nanowire to measure vibrational frequencies: Device simulator results, JOURNAL OF APPLIED PHYSICS, Vol: 108, ISSN: 0021-8979
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- Citations: 6
Kenny SD, Horsfield AP, 2009, Plato: A localised orbital based density functional theory code, COMPUTER PHYSICS COMMUNICATIONS, Vol: 180, Pages: 2616-2621, ISSN: 0010-4655
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- Citations: 28
Fox H, Gillan MJ, Horsfield AP, 2009, Methods for calculating the desorption rate of molecules from a surface at non-zero coverage: Water on MgO(001), SURFACE SCIENCE, Vol: 603, Pages: 2171-2178, ISSN: 0039-6028
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- Citations: 9
Brookes JC, Horsfield AP, Stoneham AM, 2009, Odour character differences for enantiomers correlate with molecular flexibility, JOURNAL OF THE ROYAL SOCIETY INTERFACE, Vol: 6, Pages: 75-86, ISSN: 1742-5689
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- Citations: 46
Horsfield A, 2009, Global density of states: An nth moment potential, PHILOSOPHICAL MAGAZINE, Vol: 89, Pages: 3287-3297, ISSN: 1478-6435
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- Citations: 1
McEniry EJ, Frederiksen T, Todorov TN, et al., 2008, Inelastic quantum transport in nanostructures: The self-consistent Born approximation and correlated electron-ion dynamics, PHYSICAL REVIEW B, Vol: 78, ISSN: 2469-9950
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- Citations: 25
Hope B, Horsfield A, 2008, Contrasting spin-polarization regimes in Co nanowires studied by density functional theory, PHYSICAL REVIEW B, Vol: 77, ISSN: 2469-9950
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- Citations: 11
Horsfield AP, Finnis M, Foulkes M, et al., 2008, Correlated electron-ion dynamics in metallic systems, Computational Materials Science, Vol: 44, Pages: 16-20
Stella L, Meister M, Fisher AJ, et al., 2007, Robust nonadiabatic molecular dynamics for metals and insulators, JOURNAL OF CHEMICAL PHYSICS, Vol: 127, ISSN: 0021-9606
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- Citations: 22
Fox H, Gillan MJ, Horsfield AP, 2007, Methods for calculating the desorption rate of an isolated molecule from a surface: Water on MgO(001), SURFACE SCIENCE, Vol: 601, Pages: 5016-5025, ISSN: 0039-6028
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- Citations: 12
Nguyen-Manh D, Dudarev SL, Horsfield AP, 2007, Systematic group-specific trends for point defects in bcc transition metals: An ab initio study, 12th International Conference on Fusion Reactor Materials (ICFRM-12), Publisher: ELSEVIER SCIENCE BV, Pages: 257-262, ISSN: 0022-3115
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- Citations: 33
McEniry EJ, Bowler DR, Dundas D, et al., 2007, Dynamical simulation of inelastic quantum transport, JOURNAL OF PHYSICS-CONDENSED MATTER, Vol: 19, ISSN: 0953-8984
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- Citations: 58
Nguyen-Manh D, Vitek V, Horsfield AP, 2007, Environmental dependence of bonding: A challenge for modelling of intermetallics and fusion materials, PROGRESS IN MATERIALS SCIENCE, Vol: 52, Pages: 255-298, ISSN: 0079-6425
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- Citations: 63
Brookes JC, Hartoutsiou F, Horsfield AP, et al., 2007, Could humans recognize odor by phonon assisted tunneling?, PHYSICAL REVIEW LETTERS, Vol: 98, ISSN: 0031-9007
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- Citations: 127
Sanchez CG, Stamenova M, Sanvito S, et al., 2006, Molecular conduction:: Do time-dependent simulations tell you more than the Landauer approach?, JOURNAL OF CHEMICAL PHYSICS, Vol: 124, ISSN: 0021-9606
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- Citations: 69
Fox H, Horsfield AP, Gillan MJ, 2006, Density functional calculations of surface free energies, JOURNAL OF CHEMICAL PHYSICS, Vol: 124, ISSN: 0021-9606
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- Citations: 10
Ehlers FJH, Horsfield AP, Bowler DR, 2006, Electronic state of interstitial Cu in bulk Si: Density functional calculations, PHYSICAL REVIEW B, Vol: 73, ISSN: 1098-0121
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- Citations: 11
Horsfield AP, Bowler DR, Ness H, et al., 2006, The transfer of energy between electrons and ions in solids, REPORTS ON PROGRESS IN PHYSICS, Vol: 69, Pages: 1195-1234, ISSN: 0034-4885
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- Citations: 66
Nguyen-Manh D, Horsfield AP, Dudarev SL, 2006, Self-interstitial atom defects in bcc transition metals: Group-specific trends, PHYSICAL REVIEW B, Vol: 73, ISSN: 1098-0121
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- Citations: 339
Morley GW, Herbert BJ, Lee SM, et al., 2005, Hyperfine structure of Sc@C<sub>82</sub> from ESR and DFT, NANOTECHNOLOGY, Vol: 16, Pages: 2469-2473, ISSN: 0957-4484
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- Citations: 24
Horsfield AP, Bowler DR, Fisher AJ, et al., 2005, Correlated electron-ion dynamics:: the excitation of atomic motion by energetic electrons, JOURNAL OF PHYSICS-CONDENSED MATTER, Vol: 17, Pages: 4793-4812, ISSN: 0953-8984
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- Citations: 53
Bowler DR, Horsfield AP, Sánchez CG, et al., 2005, Correlated electron-ion dynamics with open boundaries:: formalism, JOURNAL OF PHYSICS-CONDENSED MATTER, Vol: 17, Pages: 3985-3995, ISSN: 0953-8984
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- Citations: 13
Horsfield AP, Bowler DR, Fisher AJ, et al., 2004, Beyond Ehrenfest:: correlated non-adiabatic molecular dynamics, JOURNAL OF PHYSICS-CONDENSED MATTER, Vol: 16, Pages: 8251-8266, ISSN: 0953-8984
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- Citations: 85
Horsfield AP, Bowler DR, Fisher AJ, et al., 2004, Power dissipation in nanoscale conductors: classical, semi-classical and quantum dynamics, JOURNAL OF PHYSICS-CONDENSED MATTER, Vol: 16, Pages: 3609-3622, ISSN: 0953-8984
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- Citations: 77
Horsfield AP, Bowler DR, Fisher AJ, 2004, Open-boundary Ehrenfest molecular dynamics: towards a model of current induced heating in nanowires, JOURNAL OF PHYSICS-CONDENSED MATTER, Vol: 16, Pages: L65-L72, ISSN: 0953-8984
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- Citations: 36
Bowler DR, Horsfield AP, 2004, An open-boundary time-dependent technique for calculating currents in nanowires, NATO Advanced Research Workshop on Molecular Nanowires and Other Quantum Objects, Publisher: SPRINGER, Pages: 343-354, ISSN: 1568-2609
Horsfield AP, Bowler DR, Fisher AJ, et al., 2004, A microscopic computer model of electrical conduction and joule heating in nanodevices, 7th International Conference on Solid-State and Integrated Circuits Technology, Publisher: IEEE, Pages: 756-760
Horsfield A, Akhmatskaya E, Nobes R, et al., 2002, Density-functional study of the stabilization of the Si(001) dimer vacancy by Ni, PHYSICAL REVIEW B, Vol: 66, ISSN: 1098-0121
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- Citations: 8
Horsfield AP, Kenny SD, Fujitani H, 2001, Density-functional study of adsorption of Co on Si(100), PHYSICAL REVIEW B, Vol: 64, ISSN: 2469-9950
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- Citations: 30
Horsfield AP, Fujitani H, 2001, Density functional study of the initial stage of the anneal of a thin Co film on Si, PHYSICAL REVIEW B, Vol: 63, ISSN: 2469-9950
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- Citations: 14
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