What is VASP?

VASP (Vienna Ab initio Simulation Package) is a software package for performing ab initio quantum mechanical molecular dynamics (MD) using either pseudopotentials or the projector augmented wave (PAW) method and a plane wave basis set. It is commonly used for simulating materials at the atomic level to calculate their electronic structure, properties, and behavior. Applications include solid-state physics, materials science, chemistry, and nanoscience.

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What other technologies are related to VASP?

VASP Competitor Technologies

Quantum Espresso

Quantum Espresso is a software suite for electronic structure calculations and materials modeling, directly competing with VASP in the field of density functional theory (DFT).

Gaussian

Gaussian is a computational chemistry software package primarily used for molecular calculations. Although it can also be used to determine material properties, it competes with VASP for some applications, especially in quantum chemistry.

NWChem

No summary available

NWChem is a computational chemistry software package that provides capabilities for both DFT and ab initio calculations, overlapping with the functionality offered by VASP.

CP2K

No summary available

CP2K is a quantum chemistry and solid state physics software package that can perform simulations using various methods, including DFT. It competes with VASP in electronic structure calculations.

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VASP Complementary Technologies

LAMMPS

LAMMPS is a classical molecular dynamics code, often used in conjunction with VASP to perform simulations at longer time scales or larger system sizes, using parameters derived from VASP calculations. It complements VASP by extending its capabilities.

GROMACS

GROMACS is primarily used for molecular dynamics simulations of biological systems and materials. It can be used in conjunction with VASP, where VASP provides parameters for the MD simulations. Thus it complements VASP.

Python

Python is a versatile programming language often used for scripting, data analysis, and workflow automation around VASP calculations (e.g., pre- and post-processing). Libraries like pymatgen and ASE are valuable for this.

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Which job functions commonly mention VASP?

Chemical Engineer

0.1% of all Chemical Engineer jobs mention VASP

View 14 jobs on Sumble

Chemist

0.1% of all Chemist jobs mention VASP

View 87 jobs on Sumble

Research Scientist

0.1% of all Research Scientist jobs mention VASP

View 35 jobs on Sumble

Scientist

132 Scientist jobs mention VASP

View 132 jobs on Sumble

Researcher

152 Researcher jobs mention VASP

View 152 jobs on Sumble

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Which organizations are mentioning VASP?

Oak Ridge National Laboratory

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**VASP**

What is VASP?

What other technologies are related to VASP?

VASP Competitor Technologies

VASP Complementary Technologies

Which job functions commonly mention VASP?

Which organizations are mentioning VASP?

Find the right accounts, contact, message, and time to sell

VASP