Quantum Espresso

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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.

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A suite of Open-Source computer codes for electronic-structure calculations and materials modeling at the nanoscale.

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Quantum ESPRESSO is a community project, made possible by the dedication of developers worldwide who contribute their time and expertise to improving its scope and performance for the benefit of all.

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The Quantum ESPRESSO project benefits from the support of various public institutions and private companies, whose contributions are both significant and gratefully acknowledged.

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Advancing quantum simulations of materials for everyone.

Welcome to the cradle of atomistic modeling, where many innovative methods of quantum electronics are born.

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