-
1
-
-
0031144465
-
-
10.1103/PhysRevLett.78.3908
-
A. F. Voter, Phys. Rev. Lett. 78, 3908 (1997). 10.1103/PhysRevLett.78. 3908
-
(1997)
Phys. Rev. Lett.
, vol.78
, pp. 3908
-
-
Voter, A.F.1
-
2
-
-
0001208056
-
-
10.1103/PhysRevB.57.R13985
-
A. F. Voter, Phys. Rev. B 57, 13985 (1998). 10.1103/PhysRevB.57.R13985
-
(1998)
Phys. Rev. B
, vol.57
, pp. 13985
-
-
Voter, A.F.1
-
7
-
-
0017030517
-
A general method for numerically simulating the stochastic time evolution of coupled chemical reactions
-
DOI 10.1016/0021-9991(76)90041-3
-
D. Gillespie, J. Comp. Phys. 22, 403 (1976). 10.1016/0021-9991(76)90041-3 (Pubitemid 8008311)
-
(1976)
Journal of Computational Physics
, vol.22
, Issue.4
, pp. 403-434
-
-
Gillepsie, D.T.1
-
9
-
-
33947237274
-
An overview of spatial microscopic and accelerated kinetic Monte Carlo methods
-
DOI 10.1007/s10820-006-9042-9
-
A. Chatterjee and D. G. Vlachos, J. Computer-Aided Mater. Des. 14, 253 (2007). 10.1007/s10820-006-9042-9 (Pubitemid 46433463)
-
(2007)
Journal of Computer-Aided Materials Design
, vol.14
, Issue.2
, pp. 253-308
-
-
Chatterjee, A.1
Vlachos, D.G.2
-
13
-
-
16444371081
-
-
10.1103/PhysRevB.34.6819
-
A. F. Voter, Phys. Rev. B 34, 6819 (1986). 10.1103/PhysRevB.34.6819
-
(1986)
Phys. Rev. B
, vol.34
, pp. 6819
-
-
Voter, A.F.1
-
18
-
-
0035584869
-
Long time scale kinetic Monte Carlo simulations without lattice approximation and predefined event table
-
DOI 10.1063/1.1415500
-
G. Henkelman and H. Jnsson, J. Chem. Phys. 115, 9657 (2001). 10.1063/1.1415500 (Pubitemid 33147327)
-
(2001)
Journal of Chemical Physics
, vol.115
, Issue.21
, pp. 9657-9666
-
-
Henkelman, G.1
Jonsson, H.2
-
19
-
-
29644448398
-
Self-learning kinetic Monte Carlo method: Application to Cu(111)
-
DOI 10.1103/PhysRevB.72.115401, 115401
-
O. Trushin, A. Karim, A. Kara, and T. S. Rahman, Phys. Rev. B 72, 115401 (2005). 10.1103/PhysRevB.72.115401 (Pubitemid 43029129)
-
(2005)
Physical Review B - Condensed Matter and Materials Physics
, vol.72
, Issue.11
, pp. 1-9
-
-
Trushin, O.1
Karim, A.2
Kara, A.3
Rahman, T.S.4
-
22
-
-
12844254253
-
Ammonia synthesis from first-principles calculations
-
DOI 10.1126/science.1106435
-
K. Honkala, A. Hellman, I. N. Remediakis, A. Logadottir, A. Carlsson, S. Dahl, C. H. Christensen, and J. K. Nrskov, Science 307, 555 (2005). 10.1126/science.1106435 (Pubitemid 40165675)
-
(2005)
Science
, vol.307
, Issue.5709
, pp. 555-558
-
-
Honkala, K.1
Hellman, A.2
Remediakis, I.N.3
Logadottir, A.4
Carlsson, A.5
Dahl, S.6
Christensen, C.H.7
Norskov, J.K.8
-
24
-
-
4244179012
-
-
10.1016/0022-3697(57)90059-8
-
G. H. Vineyard, J. Phys. Chem. Solids 3, 121-127 (1957). 10.1016/0022-3697(57)90059-8
-
(1957)
J. Phys. Chem. Solids
, vol.3
, pp. 121-127
-
-
Vineyard, G.H.1
-
25
-
-
0034513054
-
Climbing image nudged elastic band method for finding saddle points and minimum energy paths
-
DOI 10.1063/1.1329672
-
G. Henkelman, B. P. Uberuaga, and H. Jnsson, J. Chem. Phys. 113, 9901 (2000). 10.1063/1.1329672 (Pubitemid 32076883)
-
(2000)
Journal of Chemical Physics
, vol.113
, Issue.22
, pp. 9901-9904
-
-
Henkelman, G.1
Uberuaga, B.P.2
Jonsson, H.3
-
27
-
-
0001476184
-
-
10.1103/PhysRevB.59.3969
-
L. J. Munro and D. J. Wales, Phys. Rev. B 59, 3969 (1999). 10.1103/PhysRevB.59.3969
-
(1999)
Phys. Rev. B
, vol.59
, pp. 3969
-
-
Munro, L.J.1
Wales, D.J.2
-
28
-
-
0034505723
-
Dynamics of Lennard-Jones clusters: A characterization of the activation-relaxation technique
-
DOI 10.1103/PhysRevE.62.7723
-
R. Malek and N. Mousseau, Phys. Rev. E 62, 7723 (2000). 10.1103/PhysRevE.62.7723 (Pubitemid 32087991)
-
(2000)
Physical Review E - Statistical Physics, Plasmas, Fluids, and Related Interdisciplinary Topics
, vol.62
, Issue.6
, pp. 7723-7728
-
-
Malek, R.1
Mousseau, N.2
-
29
-
-
33747642981
-
An embedded-atom potential for the Cu-Ag system
-
DOI 10.1088/0965-0393/14/5/002, PII S0965039306142813, 002
-
P. L. Williams, Y. Mishin, and J. C. Hamilton, Model. Simul. Mater. Sci. Eng. 14, 817 (2006). 10.1088/0965-0393/14/5/002 (Pubitemid 44268957)
-
(2006)
Modelling and Simulation in Materials Science and Engineering
, vol.14
, Issue.5
, pp. 817-833
-
-
Williams, P.L.1
Mishin, Y.2
Hamilton, J.C.3
|