Modeling complex quantum dynamics: evolution of numerical algorithms in the HPC context
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Publication:2206963
Simulation of dynamical systems (37M05) Numerical integration (65D30) Complexity and performance of numerical algorithms (65Y20) History of quantum theory (81-03) Mathematical modeling or simulation for problems pertaining to quantum theory (81-10) Closed and approximate solutions to the Schrödinger, Dirac, Klein-Gordon and other equations of quantum mechanics (81Q05)
Abstract: 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.
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