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Oxford University Research Archive (ORA) (University of Oxford)· 2017

Advanced capabilities for materials modelling with Quantum ESPRESSO

Paolo Giannozzi, Oliviero Andreussi, Thomas Brumme, O. Bunău et al.

Short summary

Quantum ESPRESSO, a popular open-source suite for materials simulation, has been significantly enhanced with new methodologies, property calculators, improved parallelization, and extended interoperability.

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Field: Condensed Matter Physics

Condensed Matter PhysicsPhysics and Astronomy