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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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Related topics

Related topics

11 relations
Ab initio quantum chemistry methodsBasis set (chemistry)CASTEPCoupled cluster
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Broader (1)

Computational physics

Papers overview

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2015
2015
Stabilization of rock salt ZnO nanocrystals by low-energy surfaces and Mg additions : A first-principles study
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
AB INITIO SIMULATION OF TWO-DIMENSIONAL MoS2 WITH VACANCY CLUSTERS USING GRID TECHNOLOGIES
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
First Principles Study of the Li10GeP2S12 Lithium Super Ionic Conductor Material
Using ab initio MD simulations and energy calculations, we investigate the diffusivity, stability, and electrochemical window of… Expand
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2010
2010
Ab initio studies of staggered Li adatoms on graphene
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
Voltage Space Vector Control System of Vienna Rectifier I
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
VASP - ein zentraler Regulator der Thrombozytenfunktion in vivo
Die Thrombozytenadhasion und -aktivierung stellen initiale Schritte bei der Entstehung atherosklerotischer Gefaslasionen dar… Expand
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2006
2006
Ab initio study on the carbon nanotube with various degrees of functionalization
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
Ab Initio Modeling of Diamond Nanowire Structures
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
Ab initio density functional study of phase stability and noncollinear magnetism in Mn
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
A tight-binding molecular dynamics study of NimSin binary clusters
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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