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Computational Materials Science

Known as: Computational Materials Science (journal) 
Computational Materials Science is a monthly peer-reviewed scientific journal published by Elsevier. It was established in October 1992. The editors… 
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Papers overview

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2010
2010
Theoretical prediction of topological insulator in ternary rare earth chalcogenides
TIs in two or three dimensions have bothinsulating bulk energy gap and gapless edge or surface stateson the sample’s boundary… 
2005
2005
Ab initio investigation of the Invar anomaly in ordered fcc Fe-Pt alloys
The magnetovolume anomaly in ordered fcc Fe-Pt Invar alloys is studied by ab inito Korringa-Kohn-Rostoker atomic-sphere… 
Highly Cited
2004
Highly Cited
2004
Field Dependence of Blocking Temperature in Magnetite Nanoparticles
Spherical magnetite nanoparticles having average particle size = 5 nm have been synthesized by coprecipitation of Fe(II) and Fe… 
2004
2004
Elastic anomaly for SrTi O3 thin films grown on Si(001)
X-ray diffraction measurements have revealed a negative Poisson's ratio for $\mathrm{Sr}\mathrm{Ti}{\mathrm{O}}_{3}$ thin films… 
2004
2004
Nanoscience and the Janus-faced Character of Simulation
In nanoscience, simulations (partly) take the place of "real" experiments. For example: in a simulation, well-known physical laws… 
2003
2003
Ab-initio description of domain walls in permalloy
To determine the formation energy and resistivity for domain walls in permalloy (fcc-Ni 8 5 Fe 1 5 ) we use the fully… 
2002
2002
Electron transport in magnetic multilayers: Effect of disorder
The magnetoresistance of metallic multilayers in the current-perpendicular-to-plane ~CPP! geometry is studied theoretically on an… 
Highly Cited
2001
Highly Cited
2001
Density-functional study of the adsorption of benzene on the (1 1 1), (1 0 0) and (1 1 0) surfaces of nickel
Highly Cited
2000
Highly Cited
2000
Ab initio theory of perpendicular magnetotransport in metallic multilayers
The current-perpendicular-to-plane ~CPP! magnetotransport of a metallic sample sandwiched by two ideal leads is described at an… 
1997
1997
Emergence of fast local dynamics on cooling toward the ising spin glass transition
We present a detailed Monte Carlo evaluation of the equilibrium distribution of local spin-flip rates and local energies in the… 
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