Simulating Open Quantum System Dynamics on NISQ Computers with Generalized Quantum Master Equations.


Journal

Journal of chemical theory and computation
ISSN: 1549-9626
Titre abrégé: J Chem Theory Comput
Pays: United States
ID NLM: 101232704

Informations de publication

Date de publication:
08 Aug 2023
Historique:
medline: 26 5 2023
pubmed: 26 5 2023
entrez: 26 5 2023
Statut: ppublish

Résumé

We present a quantum algorithm based on the generalized quantum master equation (GQME) approach to simulate open quantum system dynamics on noisy intermediate-scale quantum (NISQ) computers. This approach overcomes the limitations of the Lindblad equation, which assumes weak system-bath coupling and Markovity, by providing a rigorous derivation of the equations of motion for any subset of elements of the reduced density matrix. The memory kernel resulting from the effect of the remaining degrees of freedom is used as input to calculate the corresponding non-unitary propagator. We demonstrate how the Sz.-Nagy dilation theorem can be employed to transform the non-unitary propagator into a unitary one in a higher-dimensional Hilbert space, which can then be implemented on quantum circuits of NISQ computers. We validate our quantum algorithm as applied to the spin-boson benchmark model by analyzing the impact of the quantum circuit depth on the accuracy of the results when the subset is limited to the diagonal elements of the reduced density matrix. Our findings demonstrate that our approach yields reliable results on NISQ IBM computers.

Identifiants

pubmed: 37233199
doi: 10.1021/acs.jctc.3c00316
doi:

Types de publication

Journal Article

Langues

eng

Sous-ensembles de citation

IM

Pagination

4851-4862

Auteurs

Yuchen Wang (Y)

Department of Chemistry, Department of Physics, and Purdue Quantum Science and Engineering Institute, Purdue University, West Lafayette, Indiana 47907, United States.

Ellen Mulvihill (E)

Department of Chemistry and Yale Quantum Institute, Yale University, New Haven, Connecticut 06511, United States.

Zixuan Hu (Z)

Department of Chemistry, Department of Physics, and Purdue Quantum Science and Engineering Institute, Purdue University, West Lafayette, Indiana 47907, United States.

Ningyi Lyu (N)

Department of Chemistry and Yale Quantum Institute, Yale University, New Haven, Connecticut 06511, United States.

Saurabh Shivpuje (S)

Department of Chemistry, Department of Physics, and Purdue Quantum Science and Engineering Institute, Purdue University, West Lafayette, Indiana 47907, United States.

Yudan Liu (Y)

Department of Chemistry, University of Michigan, Ann Arbor, Michigan 48109, United States.

Micheline B Soley (MB)

Department of Chemistry and Yale Quantum Institute, Yale University, New Haven, Connecticut 06511, United States.
Department of Chemistry and Department of Physics, University of Wisconsin-Madison, Madison, Wisconsin 53706, United States.

Eitan Geva (E)

Department of Chemistry, University of Michigan, Ann Arbor, Michigan 48109, United States.

Victor S Batista (VS)

Department of Chemistry and Yale Quantum Institute, Yale University, New Haven, Connecticut 06511, United States.

Sabre Kais (S)

Department of Chemistry, Department of Physics, and Purdue Quantum Science and Engineering Institute, Purdue University, West Lafayette, Indiana 47907, United States.

Classifications MeSH