Volume 9, Issue 5
Prospective Merger Between Car-Parrinello and Lattice Boltzmann Methods for Quantum Many-Body Simulations

Sauro Succi & Silvia Palpacelli

Commun. Comput. Phys., 9 (2011), pp. 1137-1151.

Published online: 2011-05

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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.

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