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Variational Monte Carlo on a Parallel Architecture: An Application to Graphite
Published online by Cambridge University Press: 10 February 2011
Abstract
We present the parallelization strategy adopted to perform Variational Quantum Monte Carlo calculations on solids on distributed-memory architectures and the issues involved in the development of the parallel programs. Results obtained by the calculation of total electronic energy of graphite using nonlocal pseudopotentials in conjunction with the Variational Monte Carlo approach will be shown.
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- Copyright © Materials Research Society 1996