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Vienna Ab initio Simulation Package

Known as: Vienna Ab-initio Software Package, Vienna Ab initio Software Package, Vienna Ab-initio Simulation Package 
The Vienna Ab-initio Simulation Package, better known as VASP, is a package for performing ab initio quantum mechanical molecular dynamics (MD) using… Expand
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Papers overview

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2015
2015
Whereas bulk zinc oxide (ZnO) exhibits the wurtzite crystal structure, nanoscale ZnO was recently synthesized in the rock salt… Expand
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2014
2014
This paper contains the information about the investigation of two-dimensional MoS2 structure with vacancy clusters within the… Expand
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Highly Cited
2012
Highly Cited
2012
Using ab initio MD simulations and energy calculations, we investigate the diffusivity, stability, and electrochemical window of… Expand
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2010
2010
Abstract We study Li on graphene using the Vienna ab initio Simulation Package employing the projector-augmented wave method… Expand
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2007
2007
Theoretical background of control method for Vienna rectifier I has been presented in the paper. Proposed method involves space… Expand
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2006
2006
Die Thrombozytenadhasion und -aktivierung stellen initiale Schritte bei der Entstehung atherosklerotischer Gefaslasionen dar… Expand
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2006
2006
We present our ab initio results on carbon nanotubes functionalized with dichlorocarbene (CCl2). We find that the electronic… Expand
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2003
2003
Presented are results of our ab initio study of the structural relaxation of diamond nanowires, with dodecahedral and… Expand
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2001
2001
The crystalline and magnetic structures of all known polymorphs of Mn have been investigated using generalized spin-density… Expand
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1998
1998
Abstract A transferable tight-binding parametrization of the Ni–Si interactions, from small binary Ni m Si n clusters to bulk… Expand
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