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

DOI10.1016/J.CPC.2018.08.010arXiv1704.02770OpenAlexW2606473596WikidataQ129304214 ScholiaQ129304214MaRDI QIDQ6159550FDOQ6159550

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)

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.

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

Recommendations

• Massively parallel quantum computer simulator
• High-dimensional quantum dynamics of molecules on surfaces: A massively parallel implementation
• Massively parallel quantum computer simulator, eleven years later
• Efficient parallel implementation of Bose Hubbard model: Exact numerical ground states and dynamics of gaseous Bose-Einstein condensates
• Calculating Floquet states of large quantum systems: a parallelization strategy and its cluster implementation

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)

Cites Work

• Expokit
• Metal--insulator transition in a weakly interacting many-electron system with localized single-particle states
• Normal typicality and von Neumann's quantum ergodic theorem
• On Krylov Subspace Approximations to the Matrix Exponential Operator
• Extended Krylov Subspaces: Approximation of the Matrix Square Root and Related Functions
• A Restarted Krylov Subspace Method for the Evaluation of Matrix Functions
• The extended Krylov subspace method and orthogonal Laurent polynomials
• Integrals of motion in the many-body localized phase
• Extended Krylov subspace for parameter dependent systems
• Computational many-particle physics. Papers presented at the summer school, Greifswald, Germany, September 2006.
• SLEPc
• Block Krylov subspace methods for functions of matrices

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

This page was built for publication: Massively parallel implementation and approaches to simulate quantum dynamics using Krylov subspace techniques

Report a bug (only for logged in users!)Click here to report a bug for this page (MaRDI item Q6159550)