Article 4KKXP Supercomputing Complex Materials with QMCPACK

Supercomputing Complex Materials with QMCPACK

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from High-Performance Computing News Analysis | insideHPC on (#4KKXP)
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An effort within the Exascale Computing Project is developing a QMC methods software named QMCPACK to find, predict, and control materials and properties at the quantum level. The ultimate aim is to achieve an unprecedented and systematically improvable accuracy by leveraging the memory and power capabilities of the forthcoming exascale computing systems.

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