Efficient materials modelling on HPC with QUANTUM ESPRESSO I

QUANTUM ESPRESSO is one of the most popular suites of computer codes for electronic-structure calculations and materials modelling at the nanoscale, based on density-functional theory, plane waves, and pseudopotentials. It is able to predict and give fundamental insights about many properties of materials, molecular systems, micro and nanodevices, and biological systems, in many fields, providing a huge amount of data for data-driven science applications. ENCCS is based in Sweden and provides training and support for accessing and using European supercomputers for free. If you are a company or public authority based in Sweden please visit enccs.se or contact us at info@enccs.se. We help you use European 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