Publications
126 results found
Yu M, Huang R, Zhang X, et al., 2001, Atomistic annealing simulation: Kinetic lattice Monte Carlo, 6th International Conference on Solid-State and Integrated-Circuit Technology, Publisher: IEEE, Pages: 909-912
Hoekstra J, Sutton AP, Todorov TN, et al., 2000, Electromigration of vacancies in copper, PHYSICAL REVIEW B, Vol: 62, Pages: 8568-8571, ISSN: 1098-0121
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- Citations: 23
Kenny SD, Horsfield AP, Fujitani H, 2000, Transferable atomic-type orbital basis sets for solids, PHYSICAL REVIEW B, Vol: 62, Pages: 4899-4905, ISSN: 1098-0121
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- Citations: 119
Horsfield AP, Fujitani H, 2000, Many-site expansion for correcting approximate density functionals, PHYSICAL REVIEW B, Vol: 61, Pages: 12560-12561, ISSN: 1098-0121
Horsfield AP, Bratkovsky AM, 2000, <i>Ab initio</i> tight binding, JOURNAL OF PHYSICS-CONDENSED MATTER, Vol: 12, Pages: R1-R24, ISSN: 0953-8984
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- Citations: 54
Horsfield A, Dunham S, Fujitani H, 1999, Self-consistent kinetic lattice Monte Carlo, Symposium on Multiscale Modelling of Materials, at the 1998 MRS Fall Meeting, Publisher: MATERIALS RESEARCH SOCIETY, Pages: 285-290, ISSN: 0272-9172
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- Citations: 4
Bowler DR, Fearn M, Goringe CM, et al., 1998, Hydrogen diffusion on Si(001) studied with the local density approximation and tight binding, JOURNAL OF PHYSICS-CONDENSED MATTER, Vol: 10, Pages: 3719-3730, ISSN: 0953-8984
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- Citations: 41
Tan KE, Bratkovsky AM, Harris RM, et al., 1998, Carbon vacancies in titanium carbide (vol 5, pg 187, 1997), MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING, Vol: 6, Pages: 335-335, ISSN: 0965-0393
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- Citations: 4
Horsfield AP, Bowler DR, Goringe CM, et al., 1998, A comparison of linear scaling tight binding methods, Symposium on Tight-Binding Approach to Computational Materials Science at the 1997 MRS Fall Meeting, Publisher: MATERIALS RESEARCH SOCIETY, Pages: 417-424, ISSN: 0272-9172
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- Citations: 3
Horsfield AP, 1997, Bond order potentials for covalent systems, TMS Annual Meeting, Publisher: ASM INT, Pages: 573-579, ISSN: 1054-9714
Aoki M, Horsfield AP, Pettifor DG, 1997, Tight-binding bond order potential and forces for atomistic simulations, TMS Annual Meeting, Publisher: ASM INTERNATIONAL, Pages: 614-623, ISSN: 1054-9714
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- Citations: 6
Horsfield AP, 1997, Efficient ab initio tight binding, PHYSICAL REVIEW B, Vol: 56, Pages: 6594-6602, ISSN: 1098-0121
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- Citations: 91
Horsfield AP, Harkins CG, 1997, A simplified density functional theory study of triboelectronic lubricant degradation, MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING, Vol: 5, Pages: 311-315, ISSN: 0965-0393
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- Citations: 2
Tan KE, Bratkovsky AM, Harris RM, et al., 1997, Carbon vacancies in titanium carbide, MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING, Vol: 5, Pages: 187-198, ISSN: 0965-0393
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- Citations: 35
Bowler DR, Aoki M, Goringe CM, et al., 1997, A comparison of linear scaling tight-binding methods, MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING, Vol: 5, Pages: 199-222, ISSN: 0965-0393
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- Citations: 75
Horsfield AP, Bowler DR, 1997, Bond order potentials and other efficient tight binding methods, 3rd International Conference on Computer Simulation of Radiation Effects in Solids (COSIRES), Publisher: GORDON BREACH SCI PUBL LTD, Pages: 93-105, ISSN: 1042-0150
Godwin PD, Horsfield AP, Stoneham AM, et al., 1996, Computational materials synthesis .3. Synthesis of hydrogenated amorphous carbon from molecular precursors, PHYSICAL REVIEW B, Vol: 54, Pages: 15785-15794, ISSN: 2469-9950
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- Citations: 15
Horsfield AP, Godwin PD, Pettifor DG, et al., 1996, Computational materials synthesis .1. A tight-binding scheme for hydrocarbons, PHYSICAL REVIEW B, Vol: 54, Pages: 15773-15775, ISSN: 0163-1829
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- Citations: 56
Godwin PD, Horsfield AP, Pettifor DG, et al., 1996, Computational materials synthesis .2. A study of polymerization, PHYSICAL REVIEW B, Vol: 54, Pages: 15776-15784, ISSN: 0163-1829
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- Citations: 8
Wang J, Horsfield AP, Pettifor DG, et al., 1996, Puckering models for the Si(113) surface reconstruction, PHYSICAL REVIEW B, Vol: 54, Pages: 13744-13747, ISSN: 0163-1829
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- Citations: 31
Horsfield AP, Bratkovsky AM, 1996, O(N) tight-binding methods with finite electronic temperature, PHYSICAL REVIEW B, Vol: 53, Pages: 15381-15384, ISSN: 0163-1829
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- Citations: 19
Horsfield AP, Bratkovsky AM, Fearn M, et al., 1996, Bond-order potentials: Theory and implementation, PHYSICAL REVIEW B, Vol: 53, Pages: 12694-12712, ISSN: 1098-0121
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- Citations: 160
Tan KE, Finnis MW, Horsfield AP, et al., 1996, Why TiC(111) is observed to be Ti terminated, SURFACE SCIENCE, Vol: 348, Pages: 49-54, ISSN: 0039-6028
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- Citations: 30
Horsfield AP, 1996, A computationally efficient differentiable tight-binding energy functional, Symposium G on Atomic Scale Characterization and Simulation of Materials and Processes, at the European-Materials-Research-Society 1995 Spring Meeting, Publisher: ELSEVIER SCIENCE SA LAUSANNE, Pages: 219-223, ISSN: 0921-5107
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- Citations: 18
Sutton AP, Godwin PD, Horsfield AP, 1996, Tight-binding theory and computational materials synthesis, MRS BULLETIN, Vol: 21, Pages: 42-48, ISSN: 0883-7694
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- Citations: 8
Horsfield AP, Bratkovsky AM, Pettifor DG, et al., 1996, Bond-order potential and cluster recursion for the description of chemical bonds: Efficient real-space methods for tight-binding molecular dynamics, PHYSICAL REVIEW B, Vol: 53, Pages: 1656-1666, ISSN: 1098-0121
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- Citations: 68
Tan KE, Horsfield AP, Manh DN, et al., 1996, Theory for the (1x1) rumpled relaxations at TiC(001) and TaC(001) surfaces, PHYSICAL REVIEW LETTERS, Vol: 76, Pages: 90-93, ISSN: 0031-9007
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- Citations: 19
Rasband PB, Horsfield AP, Clancy P, 1996, Tight-binding parameters for silicon boron interactions with application to boron defect pairs in crystalline silicon, Meeting on Interatomic Potentials, Publisher: TAYLOR & FRANCIS LTD, Pages: 71-84, ISSN: 0141-8637
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- Citations: 7
Horsfield A, 1996, Bond order potentials for the atomistic simulation of covalent systems, Meeting on Interatomic Potentials, Publisher: TAYLOR & FRANCIS LTD, Pages: 85-93, ISSN: 0141-8637
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- Citations: 4
PETTIFOR DG, AOKI M, GUMBSCH P, et al., 1995, DEFECT MODELING - THE NEED FOR ANGULARLY DEPENDENT POTENTIALS, 3rd International Conference on High Temperature Intermetallics, Publisher: ELSEVIER SCIENCE SA, Pages: 24-30, ISSN: 0921-5093
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- Citations: 38
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