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Computer Physics Communications
Article . 2019 . Peer-reviewed
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https://dx.doi.org/10.48550/ar...
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Massively parallel implementation and approaches to simulate quantum dynamics using Krylov subspace techniques

Authors: Brenes, Marlon; Varma, Vipin Kerala; Scardicchio, Antonello; Girotto, Ivan;

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

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.

16 pages, 6 figures, 3 tables

Keywords

FOS: Computer and information sciences, Strongly Correlated Electrons (cond-mat.str-el), Strongly interacting systems, FOS: Physical sciences, Parallel numerical computation, Disordered Systems and Neural Networks (cond-mat.dis-nn), strongly interacting systems, Condensed Matter - Disordered Systems and Neural Networks, Computational Physics (physics.comp-ph), unitary quantum dynamics, distributed memory parallelism, Condensed Matter - Strongly Correlated Electrons, Computer Science - Distributed, Parallel, and Cluster Computing, Software, source code, etc. for problems pertaining to quantum theory, Krylov subspace methods, Packaged methods for numerical algorithms, Distributed memory parallelism, Distributed, Parallel, and Cluster Computing (cs.DC), Physics - Computational Physics, Unitary quantum dynamics

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    This is an alternative to the "Influence" indicator, which also reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
    13
    popularity
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    Top 10%
    influence
    This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
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    impulse
    This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network.
    Top 10%
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selected citations
These citations are derived from selected sources.
This is an alternative to the "Influence" indicator, which also reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Citations provided by BIP!
popularity
This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network.
BIP!Popularity provided by BIP!
influence
This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Influence provided by BIP!
impulse
This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network.
BIP!Impulse provided by BIP!
13
Top 10%
Average
Top 10%
Green
bronze