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Software · Scientific Computing and Simulation

Quantum ESPRESSO

Open-source suite for electronic-structure and materials simulations.

Application overview

The official upstream project is hosted on GitLab. Mirror repositories may exist; use the upstream project and its documentation for current source and build instructions.

Typical use cases

Materials science and electronic-structure calculations.

DeveloperQuantum ESPRESSO Foundation

HPC compatibility

Compatibility details shown here reflect administrator-maintained project information. Review the upstream release documentation against your exact operating system, drivers, accelerator, MPI stack, and cluster policy before deployment.

GPU compatibility is not specified in this directory record.

Upstream references

Link details last reviewed 2026-10-12 by MCR Tech. Project versions, licenses, hardware behavior, and hosted model access can change; follow current upstream terms.

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