Silicon potentials investigated using density functional theory fitted neural networks

Journal of Physics Condensed Matter

Volumn 20, Issue 28, 2008, Pages

  Sanville, E ^a   Bholoa, A ^a   Smith, R ^a   Kenny, S D ^a  

^a LOUGHBOROUGH UNIVERSITY   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

ARTIFICIAL INTELLIGENCE; ATOMIC PHYSICS; ATOMS; CURVE FITTING; DENSITY FUNCTIONAL THEORY; IMAGE CLASSIFICATION; LOCAL DENSITY APPROXIMATION; NONMETALS; PROBABILITY DENSITY FUNCTION; SILICON; VEGETATION;

ATOMIC POTENTIAL ENERGY; CLUSTER SYSTEMS; DATA SETS; DENSITY-FUNCTIONAL (DF); LOCAL DENSITY; SILICON POTENTIALS; SYSTEM ENERGY;

NEURAL NETWORKS;

EID: 47249125256     PISSN: 09538984     EISSN: 1361648X     Source Type: Journal    
DOI: 10.1088/0953-8984/20/28/285219     Document Type: Article

References (19)

1. Ercolessi F, Parrinello M and Tosatti E 1988 Phil. Mag. A 58 213
2. Daw M S and Baskes M I 1984 Phys. Rev. B 29 6443
3. Foiles S M, Baskes M I and Daw M S 1986 Phys. Rev. B 33 7983
4. Finnis M and Sinclair J 1984 Phil. Mag. A 50 45
5. Stillinger F and Weber T A 1985 Phys. Rev. B 31 5262
6. Tersoff J 1988 Phys. Rev. B 37 6991
7. Car R and Parrinello M 1985 Phys. Rev. Lett. 55 2471
8. Verlet L 1967 Phys. Rev. 159 98
9. González-Romera E, Ångel Jaramillo-Morán M and Carmona-Fernández D 2007 Comput. Ind. Eng. 52 336
10. Bhadeshia H 1999 ISIJ Int. 39 966
11. Metzbower E, deLoach J, Lalam S and Bhadeshia H 2001 Sci. Technol. Weld. Join. 6 116
12. Shi X, Wang L, Kariuki N, Zhong C and Lu S 2006 Sensors Actuatos B 117 65
13. Bholoa A, Kenny S D and Smith R 2007 Nucl. Instrum. Methods Phys. Res. B 255 1
14. Hobday S, Smith R and BelBruno J 1999 Modelling Simul. Mater. Sci. Eng. 7 397
15. Behler J and Parrinello M 2007 Phys. Rev. Lett. 98 146401
16. Baskes M 1997 Mater. Chem. Phys. 50 152
17. Levenberg K 1944 Q. Appl. Math. 2 164
18. Bader R F W 1994 Atoms in Molecules: A Quantum Theory (Oxford: Clarendon)
19. Sanville E, Kenny S D, Smith R and Henkelman G 2007 J. Comput. Chem. 28 899