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Prospective Merger Between Car-Parrinello and Lattice Boltzmann Methods for Quantum Many-Body Simulations

Published online by Cambridge University Press:  20 August 2015

Sauro Succi  and
Silvia Palpacelli
Sauro Succi*
Affiliation:
Istituto Applicazioni Calcolo, CNR, via dei Taurini 19, 00185 Roma, Italy Freiburg Institute for Advanced Studies, Albert-Ludwigs-Universität Freiburg Albertstraβe 19, D-79104 Freiburg i.Br., Germany
Silvia Palpacelli*
Affiliation:
Numidia s.r.l, via Berna 31, 00144 Roma, Italy
*
Corresponding author.Email:succi@iac.rm.cnr.it
Email:silviapalpacelli@gmail.com
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Abstract

Formal analogies between the Car-Parrinello (CP) ab-initio molecular dynamics for quantum many-body systems, and the Lattice Boltzmann (LB) method for classical and quantum fluids, are pointed out. A theoretical scenario, whereby the quantum LB would be coupled to the CP framework to speed-up many-body quantum simulations, is also discussed, together with accompanying considerations on the computational efficiency of the prospective CP-LB scheme.

Keywords

31.15.-p47.11.-jQuantum many-body problemsCar-Parrinello ab-initio molecular dynamicslattice Boltzmann method
Type
Research Article
Information
Communications in Computational Physics , Volume 9 , Issue 5 , May 2011 , pp. 1137 - 1151
Copyright
Copyright © Global Science Press Limited 2011

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