Graph partitioning methods for fast parallel quantum molecular dynamics

DOI10.1137/1.9781611974690.CH5MaRDI QIDQ6539145zbMATH OpenFDO

Authors Hristo N. Djidjev, Georg Hahn, Susan M. Mniszewski, Christian F. A. Negre, Anders M. N. Niklasson, Vivek B. Sardeshmukh

Publication date 14 May 2024

Full work available at URL https://doi.org/10.1137/1.9781611974690.CH5

Mathematics Subject Classification ID

Applications of graph theory (05C90) Atomic physics (81V45) Molecular physics (81V55) Computational molecular dynamics in statistical mechanics (82M37) Molecular structure (graph-theoretic methods, methods of differential topology, etc.) (92E10)

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(1)

• Quantum computing and the stable set problem

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