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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… 
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Papers overview

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2015
2015
Density functional theory is used to study the adsorption of 4′-n-octyl-4-cyanobiphenyl (8CB) liquid crystal molecules on the… 
2013
2013
We describe the mechanism of graphene fluorination by XeF2, calculated here by a periodic plane-wave DFT. We find that the… 
2013
2013
In this Licentiate Thesis, the properties and effects of iron and iron oxide filled carbon nanotube (Fe-CNT) memories are… 
2012
2012
Understanding the size, shape and morphological transformations that may occur under different temperature conditions is vital to… 
2007
2007
Theoretical background of control method for Vienna rectifier I has been presented in the paper. Proposed method involves space… 
2006
2006
The local structures of Hf–O–N thin films were analyzed using an extended x-ray absorption fine structure (EXAFS) study of the Hf… 
2001
2001
The crystalline and magnetic structures of all known polymorphs of Mn have been investigated using generalized spin-density…