Vienna Ab initio Simulation Package

Known as: Vienna Ab initio Software Package, Vienna Ab-initio Simulation Package, Vienna Ab-initio Software Package 
The Vienna Ab-initio Simulation Package, better known as VASP, is a package for performing ab initio quantum mechanical molecular dynamics (MD) using… (More)
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Topic mentions per year

1999-2017
012319992017

Papers overview

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2017
2017
Germanium faces several technological hurdles in replacing silicon and fulfilling its promise as an alternate channel material… (More)
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2014
2014
Using the ab-initio calculations based on the density functional theory (DFT), we have studied the magnetic and electronic… (More)
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2013
2013
  • J. pavlůa, M. Šoba
  • 2013
Structural properties and energetics of Fe-based C14 Laves phases at various compositions (i.e. Fe2Fe, Fe2X, X2Fe, X2X, where X… (More)
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2012
2012
The first-principles calculations are performed based on the density functional theory (DFT) [1] with generalized gradient… (More)
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2012
2012
We present a way to improve the performance of the electronic structure Vienna Ab initio Simulation Package (VASP) program. We… (More)
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2011
2011
The continued drive for high performance lithium batteries has imposed stricter requirements on the electrolyte materials. Solid… (More)
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Review
2010
Review
2010
Article history: Received 26 October 2009 Accepted 2 December 2009 We present an efficient and easy-to-use numerical treatment to… (More)
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2007
2007
The changes in the work function upon adsorption of coating layers on materials utilized in both field and thermionic emission… (More)
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2004
2004
Ideal strength, which can be defined as the stress necessary to induce permanent deformation in a material without prior… (More)
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1999
1999
The solid inner core of the Earth and the liquid outer core consist mainly of iron so that knowledge of the high-pressure… (More)
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