VASP (Vienna Ab initio Simulation Package) is a computer program for atomic scale materials modeling, e.g. electronic structure calculations and quantum-mechanical molecular dynamics, from first principles. License: Commercial and Academic License OS: Linux Rate It: Recent applications: Is there a simulation software you know, but you didn’t find it on Simurank.com? Suggest […]

### Tag: Nanoscale

## Quantum ESPRESSO

Quantum ESPRESSO is an integrated suite of Open-Source computer codes for electronic-structure calculations and materials modeling at the nanoscale. It can perform simulations on ground-state and structural properties, transition states, response properties, spectroscopic properties and quantum transport. It is based on density functional theory using plane waves and pseudopotentials. License: Open Source OS: Linux […]