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Variational Monte Carlo on a Parallel Architecture: An Application to Graphite

Published online by Cambridge University Press:  10 February 2011

M. Menchi ,
A. Bosin  and
S. Fahy
M. Menchi
Affiliation:
INFM and Dipartimento di Scienze Fisiche, Università di Cagliari, Italy
A. Bosin
Affiliation:
INFM and Dipartimento di Scienze Fisiche, Università di Cagliari, Italy
S. Fahy
Affiliation:
Physics Department, University College Cork, Ireland
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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.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 408: Symposium P – Materials Theory, Simulations, and Parallel Algorithms , 1995 , 169
Copyright
Copyright © Materials Research Society 1996

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