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Variational Monte Carlo on a parallel architecture: An application to graphite

Book ·
OSTI ID:488960
;  [1];  [2]
  1. Univ. di Cagliari (Italy)
  2. University College Cork (Ireland). Physics Dept.
The authors 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.
OSTI ID:
488960
Report Number(s):
CONF-951155--; ISBN 1-55899-311-8
Country of Publication:
United States
Language:
English