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20152025
most citedAuxiliary density functionals: a new class of methods for efficient, stable density functional theory calculations

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physics.comp-ph2025

Acceleration of the CASINO quantum Monte Carlo software using graphics processing units and OpenACC

B. Thorpe, M. J. Smith, P. J. Hasnip +1

We describe how quantum Monte Carlo calculations using the CASINO software can be accelerated using graphics processing units (GPUs) and OpenACC. In particular we consider offloadi…