Combined shared and distributed memory \textit{ab-initio} computations of molecular-hydrogen systems in the correlated state: Process pool solution and two-level parallelism

DOI10.1016/j.cpc.2015.08.001zbMath1351.81015arXiv1504.00500OpenAlexW1518655280MaRDI QIDQ2374056

A. Biborski, Andrzej P. Kądzielawa, J. Spałek

Publication date: 14 December 2016

Published in: Computer Physics Communications (Search for Journal in Brave)

Full work available at URL: https://arxiv.org/abs/1504.00500

zbMATH Keywords

parallelismab initio calculationselectronic correlationsquantum chemistry methods

Mathematics Subject Classification ID

Interacting particle systems in time-dependent statistical mechanics (82C22) Parallel numerical computation (65Y05) Computational methods for problems pertaining to quantum theory (81-08) Quantum dynamics and nonequilibrium statistical mechanics (general) (82C10) Molecular physics (81V55) Quantum coherence, entanglement, quantum correlations (81P40)

Related Items (1)

Influence of Finite Size Effects on the Fulde-Ferrell-Larkin-Ovchinnikov State

Uses Software

• qmt

Cites Work

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• Metal-insulator transitions in generalized Hubbard models
• Toward large-scale hybrid Monte Carlo simulations of the Hubbard model on graphics processing units
• Stochastic Optimization
• Electron Correlation and Ferromagnetism of Transition Metals
• Electronic Structures of Polyatomic Molecules and Valence VI. On the Method of Molecular Orbitals

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