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QuantumEspresso

Type: Gateway Software

Description: QuantumEspresso is an integrated suite of Open-Source computer codes for electronic-structure calculations and materials modeling at the nanoscale. It is based on density-functional theory, plane waves, and pseudopotentials.

Keywords: Quantum Chemistry, DFT, Plane Wave, Nano Systems Modeling

Quality Level: production

Serving State: production

Site ID: tacc.xsede.org

Access Type: 
Execution Environment
Science Gateway: 
Vendor Component: 
Execution Handle(s): 
module:qe
Hosting Resource: 
Support Contact: 
Version: 
6.1

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