Massively parallel implementation and approaches to simulate quantum dynamics using Krylov subspace techniques

DOI10.1016/J.CPC.2018.08.010MaRDI QIDQ6159550zbMATH OpenOpenAlexWikidataFDO

Authors Marlon Brenes, Vipin Kerala Varma, A. Scardicchio, Ivan Girotto

Publication date 5 May 2023

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

Full work available at URL https://arxiv.org/abs/1704.02770

zbMATH Keywords

Krylov subspace methodsstrongly interacting systemsdistributed memory parallelismunitary quantum dynamics

Mathematics Subject Classification ID

Parallel numerical computation (65Y05) Packaged methods for numerical algorithms (65Y15) Software, source code, etc. for problems pertaining to quantum theory (81-04)

Abstract: We have developed an application and implemented parallel algorithms in order to provide a computational framework suitable for massively parallel supercomputers to study the unitary dynamics of quantum systems. We use renowned parallel libraries such as PETSc/SLEPc combined with high-performance computing approaches in order to overcome the large memory requirements to be able to study systems whose Hilbert space dimension comprises over 9 billion independent quantum states. Moreover, we provide descriptions on the parallel approach used for the three most important stages of the simulation: handling the Hilbert subspace basis, constructing a matrix representation for a generic Hamiltonian operator and the time evolution of the system by means of the Krylov subspace methods. We employ our setup to study the evolution of quasidisordered and clean many-body systems, focussing on the return probability and related dynamical exponents: the large system sizes accessible provide novel insights into their thermalization properties.

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Cites work

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Cited in

(4)

• Modeling complex quantum dynamics: evolution of numerical algorithms in the HPC context
• Parallel methods for high-dimensional quantum dynamics
• \textit{TimeEvolver}: a program for time evolution with improved error bound
• Parallel time integration using batched BLAS (Basic Linear Algebra Subprograms) routines

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