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

Sauro Succi & Silvia Palpacelli

DOI: 10.4208/cicp.141009.091110s

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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@Article{CiCP-9-1137, author = {Sauro Succi and Silvia Palpacelli}, title = {Prospective Merger Between Car-Parrinello and Lattice Boltzmann Methods for Quantum Many-Body Simulations}, journal = {Communications in Computational Physics}, year = {2011}, volume = {9}, number = {5}, pages = {1137--1151}, 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.

}, issn = {1991-7120}, doi = {https://doi.org/10.4208/cicp.141009.091110s}, url = {http://global-sci.org/intro/article_detail/cicp/7542.html} }
TY - JOUR T1 - Prospective Merger Between Car-Parrinello and Lattice Boltzmann Methods for Quantum Many-Body Simulations AU - Sauro Succi & Silvia Palpacelli JO - Communications in Computational Physics VL - 5 SP - 1137 EP - 1151 PY - 2011 DA - 2011/05 SN - 9 DO - http://doi.org/10.4208/cicp.141009.091110s UR - https://global-sci.org/intro/article_detail/cicp/7542.html KW - AB -

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.

Sauro Succi and Silvia Palpacelli. (2011). Prospective Merger Between Car-Parrinello and Lattice Boltzmann Methods for Quantum Many-Body Simulations. Communications in Computational Physics. 9 (5). 1137-1151. doi:10.4208/cicp.141009.091110s
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