leonhardmayrhofer's library 62 articles Export

	Bond-order potentials: Theory and implementation [My Copy] Physical Review B, Vol. 53, No. 19. (May 1996), pp. 12694-12712. by A. P. Horsfield, A. M. Bratkovsky, M. Fearn, D. G. Pettifor, M. Aoki posted to no-tag by leonhardmayrhofer on 2009-11-19 12:30:00 as
	Tight-binding surface correction to the embedded-atom method embedding function [My Copy] Journal of Physics: Condensed Matter, Vol. 7, No. 49. (1995), pp. 9433-9438. by F. Zypman, J. Ferrante posted to surface eam by leonhardmayrhofer on 2009-11-16 17:01:29 as
	A coordination chemistry approach towards ternary M/14/16 anions [My Copy] Coordination Chemistry Reviews, Vol. 251, No. 9-10. (May 2007), pp. 1259-1280. by S. Dehnen, M. Melullis posted to no-tag by leonhardmayrhofer on 2009-11-05 18:08:32 as
	Optimization methods for finding minimum energy paths [My Copy] The Journal of Chemical Physics, Vol. 128, No. 13. (2008), 134106. by Daniel Sheppard, Rye Terrell, Graeme Henkelman posted to minimum_energy_paths by leonhardmayrhofer on 2009-11-04 10:05:53 as along with 2 people arybakov lutsko
	Reversible work transition state theory: application to dissociative adsorption of hydrogen [My Copy] Surface Science, Vol. 324, No. 2-3. (10 February 1995), pp. 305-337. by G. Mills posted to neb by leonhardmayrhofer on 2009-11-04 10:02:17 as along with 2 people and_ped10 lutsko
	Density-Functional Theory for Strongly Interacting Electrons [My Copy] Physical Review Letters, Vol. 103, No. 16. (2009), 166402. by Paola G. Giorgi, Michael Seidl, G. Vignale posted to dft by leonhardmayrhofer on 2009-10-20 09:40:24 as along with 1 person michaelbussmann
	Superionics: crystal structures and conduction processes [My Copy] Reports on Progress in Physics, Vol. 67, No. 7. (2004), pp. 1233-1314. by Stephen Hull posted to ionic_conductivity by leonhardmayrhofer on 2009-10-15 15:48:30 as
	Quantum and thermal effects in $H2$ dissociative adsorption: Evaluation of free energy barriers in multidimensional quantum systems [My Copy] Physical Review Letters, Vol. 72, No. 7. (Feb 1994), pp. 1124-1127. by Greg Mills, Hannes Jónsson posted to nudged elastic band by leonhardmayrhofer on 2009-10-15 15:38:03 as
	Improved tangent estimate in the nudged elastic band method for finding minimum energy paths and saddle points [My Copy] Journal of Chemical Physics, Vol. 113 (2000), 9978. by G. Henkelman, H. Jónsson posted to nudged_elastic_band by leonhardmayrhofer on 2009-10-13 13:31:05 as
	Growth of Dome-Shaped Carbon Nanoislands on Ir(111): The Intermediate between Carbidic Clusters and Quasi-Free-Standing Graphene [My Copy] Physical Review Letters, Vol. 103, No. 16. (2009), 166101. by Paolo Lacovig, Monica Pozzo, Dario Alfè, Paolo Vilmercati, Alessandro Baraldi, Silvano Lizzit posted to substrate graphene by leonhardmayrhofer on 2009-10-13 08:34:58 as
	Berry's Phase and Absence of Back Scattering in Carbon Nanotubes [My Copy] Journal of the Physical Society of Japan (1998) by T. Ando, T. Nakanishi, R. Saito posted to pseudospin phase cnt berry by leonhardmayrhofer on 2009-10-01 08:34:42 as
	Impurity Scattering in Carbon Nanotubes – Absence of Back Scattering [My Copy] J. Phys. Soc. Jpn, Vol. 67, 1704. by T. Ando, T. Nakanishi posted to no-tag by leonhardmayrhofer on 2009-10-01 08:28:05 as
	Embedded-atom method: Derivation and application to impurities, surfaces, and other defects in metals [My Copy] Physical Review B, Vol. 29, No. 12. (Jun 1984), pp. 6443-6453. by Murray S. Daw, M. I. Baskes posted to eam by leonhardmayrhofer on 2009-09-29 13:19:53 as along with 2 people and_ped10 alexispaz
	Contents: Phys. Status Solidi RRL 6/2009 [My Copy] physica status solidi (RRL) - Rapid Research Letters, Vol. 3, No. 6. (2009), pp. A79-A84. posted to review graphen cnt by leonhardmayrhofer on 2009-09-23 16:43:15 as
	One-Dimensional Energy Dispersion of Single-Walled Carbon Nanotubes by Resonant Electron Scattering [My Copy] Physical Review Letters, Vol. 88, No. 6. (Jan 2002), 066804. by Min Ouyang, Jin L. Huang, Charles M. Lieber posted to ldos defect cnt by leonhardmayrhofer on 2009-09-10 14:25:51 as
	Threshold accepting: A general purpose optimization algorithm appearing superior to simulated annealing [My Copy] Journal of Computational Physics, Vol. 90, No. 1. (September 1990), pp. 161-175. by G. Dueck, T. Scheuer posted to threshold_accepting optimization by leonhardmayrhofer on 2009-09-09 15:36:43 as
	Semiempirical, Quantum Mechanical Calculation of Hydrogen Embrittlement in Metals [My Copy] Physical Review Letters, Vol. 50, No. 17. (25 Apr 1983), pp. 1285-1288. by Murray S. Daw, M. I. Baskes posted to eam by leonhardmayrhofer on 2009-09-02 09:10:30 as
	Computational complexity of interacting electrons and fundamental limitations of density functional\|[nbsp]\|theory [My Copy] Nature Physics, Vol. 5, No. 10. (23 August 2009), pp. 732-735. by Norbert Schuch, Frank Verstraete posted to quantum information dft by leonhardmayrhofer on 2009-08-27 15:45:43 as along with 1 person GomezAddams
	Interatomic Potentials from First-Principles Calculations: The Force-Matching Method [My Copy] EPL (Europhysics Letters), Vol. 26, No. 8. (1994), pp. 583-588. by F. Ercolessi, J. B. Adams posted to matching force by leonhardmayrhofer on 2009-08-27 10:27:08 as along with 1 person edws
	The density functional formalism, its applications and prospects [My Copy] Reviews of Modern Physics, Vol. 61, No. 3. (1 Jul 1989), pp. 689-746. by R. O. Jones, O. Gunnarsson posted to review dft by leonhardmayrhofer on 2009-08-25 08:28:38 as along with 1 person alexphys
	Ballistic Transport in Metallic Nanotubes with Reliable Pd Ohmic Contacts [My Copy] Nano Letters, Vol. 3, No. 11. (1 November 2003), pp. 1541-1544. by David Mann, Ali Javey, Jing Kong, Qian Wang, Hongjie Dai posted to cnt contact pd by leonhardmayrhofer on 2009-07-30 16:18:33 as
	Metal−Carbon Nanotube Contacts: The Link between Schottky Barrier and Chemical Bonding [My Copy] Journal of the American Chemical Society, Vol. 130, No. 18. (1 May 2008), pp. 5848-5849. by Vincenzo Vitale, Alessandro Curioni, Wanda Andreoni posted to al bonding chemical cnt contact metal pd schottky by leonhardmayrhofer on 2009-07-30 15:47:50 as
	Wetting of diamond and graphite by liquid iron-titanium alloys [My Copy] Powder Metallurgy and Metal Ceramics, Vol. 10, No. 1. (1 January 1971), pp. 62-64. by V. I. Kostikov, M. A. Maurakh, A. V. Nozhkina posted to and diamond graphite of wetting by leonhardmayrhofer on 2009-07-28 14:16:37 as
	A study of wetting of diamond and graphite by fused metals and alloys VII. The effect of vanadium, niobium, manganese, molybdenum, and tungsten on wetting of graphite by copper-based alloys [My Copy] Powder Metallurgy and Metal Ceramics, Vol. 7, No. 7. (1 July 1968), pp. 563-565. by Yu Naidich, G. A. Kolesnichenko posted to no-tag by leonhardmayrhofer on 2009-07-28 14:15:15 as
	Surface Geometry of C_60 on Ag(111) [My Copy] Physical Review Letters, Vol. 103, No. 5. (July 2009), 056101. by H. I. Li, K. Pussi, K. J. Hanna, et al.L. L. Wang, D. D. Johnson, H. P. Cheng, H. Shin, S. Curtarolo, W. Moritz, J. A. Smerdon, R. McGrath, R. D. Diehl posted to c60 carbon silver by leonhardmayrhofer on 2009-07-28 08:53:18 as along with 1 person rico
	Mechanical properties of carbon nanotubes with vacancies and related defects [My Copy] Physical Review B, Vol. 70, No. 24. (Dec 2004), 245416. by M. Sammalkorpi, A. Krasheninnikov, A. Kuronen, K. Nordlund, K. Kaski posted to cnt defects vacancy by leonhardmayrhofer on 2009-07-27 21:59:00 as
	Defects in Carbon Nanotubes [My Copy] Accounts of Chemical Research, Vol. 35, No. 12. (1 December 2002), pp. 1063-1069. by J. C. Charlier posted to cnt defects by leonhardmayrhofer on 2009-07-27 21:51:03 as along with 2 people pem kirwandf
	Reconstruction of carbon atoms around a point defect of a graphene: a hybrid quantum/classical molecular-dynamics simulation [My Copy] Journal of Physics: Condensed Matter, Vol. 21, No. 6. (2009), 064202. by Y. Kowaki, A. Harada, F. Shimojo, K. Hoshino posted to cnt defects pentagon by leonhardmayrhofer on 2009-07-27 21:47:44 as
	The formation of pentagon-heptagon pair defect by the reconstruction of vacancy defects in carbon nanotube [My Copy] Applied Physics Letters, Vol. 92, No. 4. (2008), 043104. by Gun D. Lee, C. Z. Wang, Euijoon Yoon, Nong M. Hwang, K. M. Ho posted to cnt defect heptagon pentagon by leonhardmayrhofer on 2009-07-27 21:45:23 as
	Molecular dynamics simulations of the structural and dynamic properties of graphite-supported bimetallic transition metal clusters [My Copy] Physical Review B, Vol. 72, No. 19. (Nov 2005), 195405. by Subramanian K. R. S. Sankaranarayanan, Venkat R. Bhethanabotla, Babu Joseph posted to alloys carbon dynamics metal molecular by leonhardmayrhofer on 2009-07-25 17:30:08 as
	A molecular dynamics study on the formation of metallofullerene [My Copy] The European Physical Journal D - Atomic, Molecular, Optical and Plasma Physics, Vol. 9, No. 1. (1 December 1999), pp. 385-388. by Y. Yamaguchi, S. Maruyama posted to carbon metal potential by leonhardmayrhofer on 2009-07-25 16:09:17 as
	Space-Time Approach to Quantum Electrodynamics [My Copy] Physical Review Online Archive (Prola), Vol. 76, No. 6. (15 Sep 1949), pp. 769-789. by R. P. Feynman posted to diagrams feynman introduction of by leonhardmayrhofer on 2009-07-21 09:04:53 as along with 3 people amirsegal dhbradshaw gheinrich
	Density-gradient-corrected embedded atom method [My Copy] Physical Review B (Condensed Matter and Materials Physics), Vol. 79, No. 3. (2009), 035124. by Gang Wu, Gang Lu, Carlos J. Garc'ia Cervera, E. Weinan posted to eam transferability by leonhardmayrhofer on 2009-07-16 13:16:34 as
	Current in Open Quantum Systems [My Copy] Physical Review Letters, Vol. 93, No. 16. (Oct 2004), 160404. by Ralph Gebauer, Roberto Car posted to current open quantum system transport by leonhardmayrhofer on 2009-07-16 10:19:10 as
	Time-dependent quantum transport: A practical scheme using density functional theory [My Copy] Physical Review B, Vol. 72, No. 3. (Jul 2005), 035308. by S. Kurth, G. Stefanucci, C. O. Almbladh, A. Rubio, E. K. U. Gross posted to tddft transport by leonhardmayrhofer on 2009-07-16 10:17:56 as
	Exchange effects in spin-polarized transport through carbon nanotube quantum dots [My Copy] Physical Review B (Condensed Matter and Materials Physics), Vol. 80, No. 3. (2009), 035412. by Christoph Schenke, Sonja Koller, Leonhard Mayrhofer, Milena Grifoni posted to cnt exchange polarized spin by leonhardmayrhofer on 2009-07-13 17:47:05 as along with 1 person akhuettel
	Thermostat Algorithms for Molecular Dynamics Simulations SpringerLink - Book Chapter [My Copy] posted to dynamics molecular thermostat by leonhardmayrhofer on 2009-07-07 10:40:38 as
	Minimal Energy Cost for Thermodynamic Information Processing: Measurement and Information Erasure [My Copy] Physical Review Letters, Vol. 102, No. 25. (2009), 250602. by Takahiro Sagawa, Masahito Ueda posted to demon maxwell by leonhardmayrhofer on 2009-06-30 08:10:45 as
	Optimal strictly localized basis sets for noble metal surfaces [My Copy] Physical Review B, Vol. 79, No. 7. (February 2009), 075441. by Sandra García-Gil, Alberto García, Nicolás Lorente, Pablo Ordejón posted to basis local metal set siesta surfaces by leonhardmayrhofer on 2009-06-16 17:12:40 as along with 1 person ryde
	Analytic bond-order potentials beyond Tersoff-Brenner. I. Theory [My Copy] Physical Review B, Vol. 59, No. 13. (Apr 1999), pp. 8487-8499. by D. G. Pettifor, I. I. Oleinik posted to bond-order brenner dynmaics molecular potential by leonhardmayrhofer on 2009-06-12 14:09:12 as
	Quantum Annealing and Related Optimization Methods Springer Lecture Notes [My Copy] posted to no-tag by leonhardmayrhofer on 2009-06-11 14:07:46 as
	Tight-binding potentials for transition metals and alloys [My Copy] Physical Review B, Vol. 48, No. 1. (Jul 1993), pp. 22-33. by Fabrizio Cleri, Vittorio Rosato posted to fcc md metals potential transition by leonhardmayrhofer on 2009-05-27 13:57:30 as
	Self-Passivating Edge Reconstructions of Graphene [My Copy] Physical Review Letters, Vol. 101, No. 11. (2008), 115502. by Pekka Koskinen, Sami Malola, Hannu Häkkinen posted to no-tag by leonhardmayrhofer on 2009-04-28 16:32:59 as
	Theory of Electronic States and Transport in Carbon Nanotubes [My Copy] J. Phys. Soc. Jpn., Vol. 74 (2005), pp. 777-817. by Tsuneya Ando posted to ando cnt kp review by leonhardmayrhofer on 2009-04-24 13:33:54 as
	Electronic structure of carbon nanotube ropes [My Copy] Physical Review B, Vol. 61, No. 16. (15 April 2000), 11156. by A. A. Maarouf, C. L. Kane, E. J. Mele posted to bundle cnt tightbinding by leonhardmayrhofer on 2009-04-24 13:24:46 as along with 1 person kinder
	Green's function embedding approach to quantum conductivity of single wall carbon nanotubes [My Copy] The Journal of Chemical Physics, Vol. 115, No. 6. (2001), pp. 2737-2742. by Antonis N. Andriotis, Madhu Menon posted to boundary negf tb by leonhardmayrhofer on 2009-04-23 14:03:24 as
	Nonequilibrium GW approach to quantum transport in nano-scale contacts [My Copy] The Journal of Chemical Physics, Vol. 126, No. 9. (2007), 091101. by Kristian S. Thygesen, Angel Rubio posted to gw transport by leonhardmayrhofer on 2009-04-22 21:51:00 as
	Molecular transport junctions: vibrational effects [My Copy] Journal of Physics: Condensed Matter, Vol. 19, No. 10. (2007), 103201. by Michael Galperin, Mark A. Ratner, Abraham Nitzan posted to no-tag by leonhardmayrhofer on 2009-04-22 21:29:56 as along with 1 person towerlu
	Quantum field-theoretical methods in transport theory of metals [My Copy] Reviews of Modern Physics, Vol. 58, No. 2. (1 Apr 1986), pp. 323-359. by J. Rammer, H. Smith posted to keldysh transport by leonhardmayrhofer on 2009-04-22 21:18:58 as along with 2 people vagantes fpmarin
	Interfacial atomic composition and Schottky barrier heights at the Al/GaAs(001) interface [My Copy] Proceedings of the 20th annual conference on the physics and chemistry of semiconductors interfaces, Vol. 11, No. 4. (1993), pp. 1553-1558. by R. G. Dandrea, C. B. Duke posted to barrier calculation schottky by leonhardmayrhofer on 2009-04-21 17:21:39 as

Note: You may cite this page as: http://www.citeulike.org/user/leonhardmayrhofer

Result page: 1 2 Next

cnt	20
metal	9
contact	8
eam	4
transport	4
schottky	4
defects	4
negf	4
review	3
quantum	3
potential	3
interference	3
molecular	3
dft	3
carbon	3
of	2
pd	2
pentagon	2
barrier	2
calculation	2
dynamics	2
defect	2
pseudospin	2
band	1
system	1
feynman	1
bond-order	1
exchange	1
force	1
brenner	1
vacancy	1
transition	1
neb	1
surfaces	1
nudged_elastic_band	1
polarization	1
diagrams	1
alloys	1
minimum_energy_paths	1
substrate	1
basis	1
berry	1
elastic	1
tightbinding	1
ohmic	1
fet	1
al	1
md	1
set	1
spin	1
bundle	1
current	1
surface	1
thermostat	1
metals	1
information	1
phase	1
demon	1
graphene	1
fabrication	1
kp	1
tddft	1
bonding	1
graphen	1
silver	1
heptagon	1
polarized	1
ionic_conductivity	1
maxwell	1
transferability	1
dynmaics	1
wetting	1
threshold_accepting	1
graphite	1
dot	1
fcc	1
tb	1
gw	1
local	1
c60	1
optimization	1
open	1
ldos	1
diamond	1
siesta	1
nanoribbon	1
matching	1
boundary	1
introduction	1
keldysh	1
ando	1
and	1
chemical	1
nudged	1

leonhardmayrhofer's library 62 articles Export

leonhardmayrhofer's tags