and_ped10's Henkelman:G [10 articles] Export

Recent papers posted to and_ped10's library by the author Henkelman:G. You can also see everyone's Henkelman:G.

	Improved grid-based algorithm for Bader charge allocation. [My Copy] J Comput Chem, Vol. 28, No. 5. (15 April 2007), pp. 899-908. by E. Sanville, S. D. Kenny, R. Smith, G. Henkelman posted to bader charge by and_ped10 on 2007-05-23 16:55:50 as along with 1 person apulido
	A fast and robust algorithm for Bader decomposition of charge density [My Copy] Computational Materials Science, Vol. 36, No. 3. (June 2006), pp. 354-360. by Graeme Henkelman, Andri Arnaldsson, Hannes Jonsson posted to no-tag by and_ped10 on 2007-02-10 18:25:23 as along with 1 person apulido
	Improved tangent estimate in the nudged elastic band method for finding minimum energy paths and saddle points [My Copy] The Journal of Chemical Physics, Vol. 113, No. 22. (2000), pp. 9978-9985. by Graeme Henkelman, Hannes Jonsson posted to no-tag by and_ped10 on 2006-12-12 15:20:22 as along with 1 person lutsko
	A climbing image nudged elastic band method for finding saddle points and minimum energy paths [My Copy] The Journal of Chemical Physics, Vol. 113, No. 22. (2000), pp. 9901-9904. by Graeme Henkelman, Blas P. Uberuaga, Hannes Jonsson posted to no-tag by and_ped10 on 2006-12-12 15:19:31 as along with 1 person lutsko
	Exploring long-time response to radiation damage in MgO [My Copy] Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms In Proceedings of the Seventh International Conference on Computer Simulation of Radiation Effects in Solids, Vol. 228, No. 1-4. (January 2005), pp. 260-273. by B. P. Uberuaga, R. Smith, A. R. Cleave, et al.G. Henkelman, R. W. Grimes, A. F. Voter, K. E. Sickafus posted to no-tag by and_ped10 on 2006-11-15 09:18:53 as
	MgO addimer diffusion on MgO(100): A comparison of ab initio and empirical models [My Copy] Phys. Rev. B, Vol. 72, No. 11. (September 2005), 115437. by G. Henkelman, B. P. Uberuaga, D. J. Harris, J. H. Harding, N. L. Allan posted to a-kmc mgo by and_ped10 on 2006-02-06 15:55:18 as
	Multiple Time Scale Simulations of Metal Crystal Growth Reveal the Importance of Multiatom Surface Processes [My Copy] Physical Review Letters, Vol. 90, No. 11. (March 2003), 116101. by G. Henkelman, H. Jonsson posted to my_gb_article by and_ped10 on 2006-01-31 20:30:43 as
	Long time scale kinetic Monte Carlo simulations without lattice approximation and predefined event table [My Copy] The Journal of Chemical Physics, Vol. 115, No. 21. (2001), pp. 9657-9666. by Graeme Henkelman, Hannes Jonsson posted to adaptive kmc my_gb_article by and_ped10 on 2006-01-31 18:10:11 as along with 2 people lutsko matthewhflamm
	Comparison of methods for finding saddle points without knowledge of the final states [My Copy] The Journal of Chemical Physics, Vol. 121, No. 20. (2004), pp. 9776-9792. by R. A. Olsen, G. J. Kroes, G. Henkelman, A. Arnaldsson, H. Jonsson posted to dimer point saddle by and_ped10 on 2006-01-31 18:05:09 as
	A dimer method for finding saddle points on high dimensional potential surfaces using only first derivatives [My Copy] The Journal of Chemical Physics, Vol. 111, No. 15. (1999), pp. 7010-7022. by Graeme Henkelman, Hannes Jonsson posted to dimer my_gb_article by and_ped10 on 2006-01-31 17:38:51 as along with 3 people lutsko tovrstra apulido

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my_gb_article	11
emt	8
copper	5
grain	4
h	3
mgo	3
boundary	3
dft	2
surface	2
pd	2
dimer	2
kmc	2
cna	2
grain-boundary	2
devices	1
anderson	1
simulation	1
eam	1
carlo	1
simulations	1
glass	1
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saddle	1
monte	1
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charge	1
films	1
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mg	1
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bader	1
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md	1
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and_ped10's Henkelman:G [10 articles] Export

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