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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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Highly Cited
2017
Highly Cited
2017
We have performed a theoretical study of the Li/Li6PS5Cl interface and showed the ability of the applied computational methods to… 
2017
2017
Metal-free carbon quantum dots (CQDs) have attracted great interest, but the rapid preparation of doped CQDs with tunable optical… 
2016
2016
Author(s): Hallsteinsen, I; Moreau, M; Grutter, A; Nord, M; Vullum, PE; Gilbert, DA; Bolstad, T; Grepstad, JK; Holmestad, R… 
Highly Cited
2016
Highly Cited
2016
Very recently, two-dimensional (2D) boron sheets (borophene) with rectangular structures were grown successfully on single… 
2014
2014
The structural stabilities of RuC under high pressure have been studied by using first-principle calculations. Results show that… 
Highly Cited
2013
Highly Cited
2013
Chalcogen bonding has been investigated in terms of the electron density distribution ρ(r) around chalcogen atoms. The evolution… 
Highly Cited
2012
Highly Cited
2012
Using ab initio MD simulations and energy calculations, we investigate the diffusivity, stability, and electrochemical window of… 
Highly Cited
2012
Highly Cited
2012
Structural properties of a series of mordenite and ZSM-5 zeolites with different framework Al distribution modified with…