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Ab-initio density functional study of defect-free and defective CdO
R Ferro et al.
physica status solidi (c) 2 (10), 3548-51 (2005)
info:doi/10.1002/pssc.200461816
Posted by matthieuverstraete (who is an author) to abinitio DFT defect CDO on Tue Oct 23 2007 at 09:40 UTC | info | related
 
Ab initio study of MoS2 nanotube bundles
Matthieu Verstraete and Jean-Christophe Charlier
Physical Review B 68 (4), 045423 (30 Jul 2003)
info:doi/10.1103/PhysRevB.68.045423
Posted by matthieuverstraete (who is an author) to Nanotube ABINIT DFT disulfide molybdenum on Wed Oct 10 2007 at 15:44 UTC | info | related
 
Smearing scheme for finite-temperature electronic-structure calculations
Matthieu Verstraete and Xavier Gonze
Physical Review B 65 (3), 035111 (Jan 2002)
info:doi/10.1103/PhysRevB.65.035111
Posted by matthieuverstraete (who is an author) to DFT temperature finite on Wed Oct 10 2007 at 14:48 UTC | info | related
 
Electronic structure of Ag–Pd heterostructures
Matthieu Verstraete et al.
Computational Materials Science 30 (1-2), 34-43 (May 2004)
info:doi/10.1016/j.commatsci.2004.01.007
Posted by matthieuverstraete (who is an author) to Catalysis palladium Nanotube carbon DFT on Wed Oct 10 2007 at 14:23 UTC | info | related
 
Metals at finite temperature: a modified smearing scheme
Matthieu Verstraete and Xavier Gonze
Computational Materials Science 30 (1-2), 27-33 (May 2004)
info:doi/10.1016/j.commatsci.2004.01.006
Posted by matthieuverstraete (who is an author) to structure electronic DFT temperature finite on Wed Oct 10 2007 at 14:20 UTC | info | related
 
First-principles computation of material properties: the ABINIT software project
X Gonze et al.
Computational Materials Science 25 (3), 478-92 (Nov 2002)
info:doi/10.1016/S0927-0256(02)00325-7
Posted by matthieuverstraete (who is an author) to structure electronic state ground phonon DFT ABINIT on Wed Oct 10 2007 at 13:46 UTC | info | related
 
First-principles calculation of the electronic, dielectric, and dynamical properties of CaF2
Matthieu Verstraete and Xavier Gonze
Physical Review B 68 (19), 195123 (26 Nov 2003)
info:doi/10.1103/PhysRevB.68.195123
Posted by matthieuverstraete (who is an author) to dielectric phonon DFT difluoride Calcium on Thu Sep 13 2007 at 14:53 UTC | info | related
 
Structural and electronic properties of Ag-Pd superlattices
Matthieu Verstraete et al.
Physical Review B (Condensed Matter and Materials Physics) 70 (20), 205427 (2004)
info:doi/10.1103/physrevb.70.205427
Posted by matthieuverstraete (who is an author) to STM PES DFT growth heterostructure PD Ag on Thu Sep 13 2007 at 14:53 UTC | info | related
 
A brief introduction to the ABINIT software package
X Gonze et al.
Zeitschrift fur Kristallographie 220 (5/6/2005), 558-62 (May 2005)
info:doi/10.1524/zkri.220.5.558.65066 | info:isbn/0044-2968
Posted by matthieuverstraete (who is an author) to DFT ABINIT on Thu Sep 13 2007 at 14:50 UTC | info | related
 
Why is iridium the best substrate for single crystal diamond growth?
Matthieu Verstraete and Jean-Christophe Charlier
Applied Physics Letters 86 (19), 191917 (2005)
info:doi/10.1063/1.1922571
Posted by matthieuverstraete (who is an author) to DFT iridium single crystal growth Diamond on Thu Sep 13 2007 at 14:49 UTC | info | related

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