Modeling Complex Quantum Dynamics: Evolution of Numerical Algorithms in the HPC Context
Journal article, Peer reviewed
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Original versionMeyerov, Liniov, Ivanchenko, Denysov S. Modeling Complex Quantum Dynamics: Evolution of Numerical Algorithms in the HPC Context. Lobachevskii Journal of Mathematics. 2020;41(8):1509-1520 https://doi.org/10.1134/S1995080220080120
Due to complexity of the systems and processes it addresses, the development of computational quantum physics is influenced by the progress in computing technology. Here we overview the evolution, from the late 1980s to the current year 2020, of the algorithms used to simulate dynamics of quantum systems. We put the emphasis on implementation aspects and computational resource scaling with the model size and propagation time. Our mini-review is based on a literature survey and our experience in implementing different types of algorithms on supercomputers ‘‘Lobachevskii’’ (at Lobachevskii State University of Nizhny Novgorod) and ‘‘Lomonosov 2’’ (at Moscow State University).