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<article xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink" xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xmlns:ali="http://www.niso.org/schemas/ali/1.0/" article-type="research-article" dtd-version="1.2" xml:lang="en"><front><journal-meta><journal-id journal-id-type="publisher-id">Discrete and Continuous Models and Applied Computational Science</journal-id><journal-title-group><journal-title xml:lang="en">Discrete and Continuous Models and Applied Computational Science</journal-title><trans-title-group xml:lang="ru"><trans-title>Discrete and Continuous Models and Applied Computational Science</trans-title></trans-title-group></journal-title-group><issn publication-format="print">2658-4670</issn><issn publication-format="electronic">2658-7149</issn><publisher><publisher-name xml:lang="en">Peoples' Friendship University of Russia named after Patrice Lumumba (RUDN University)</publisher-name></publisher></journal-meta><article-meta><article-id pub-id-type="publisher-id">35921</article-id><article-id pub-id-type="doi">10.22363/2658-4670-2023-31-3-247-259</article-id><article-id pub-id-type="edn">KRDBEG</article-id><article-categories><subj-group subj-group-type="toc-heading" xml:lang="en"><subject>Articles</subject></subj-group><subj-group subj-group-type="toc-heading" xml:lang="ru"><subject>Статьи</subject></subj-group><subj-group subj-group-type="article-type"><subject>Research Article</subject></subj-group></article-categories><title-group><article-title xml:lang="en">Hamiltonian simulation in the Pauli basis of multi-qubit clusters for condensed matter physics</article-title><trans-title-group xml:lang="ru"><trans-title>Моделирование в базисе Паули гамильтонианов многокубитных кластеров физики конденсированного состояния</trans-title></trans-title-group></title-group><contrib-group><contrib contrib-type="author"><contrib-id contrib-id-type="orcid">https://orcid.org/0000-0002-0697-1639</contrib-id><name-alternatives><name xml:lang="en"><surname>André</surname><given-names>Eduardo L.</given-names></name><name xml:lang="ru"><surname>Андре</surname><given-names>Э. Л.</given-names></name></name-alternatives><bio xml:lang="en"><p>PhD student, Department of Applied Physics, Tver State University</p></bio><email>lumonansoni@gmail.com</email><xref ref-type="aff" rid="aff1"/><xref ref-type="aff" rid="aff2"/></contrib><contrib contrib-type="author"><contrib-id contrib-id-type="orcid">https://orcid.org/0000-0003-4168-3613</contrib-id><contrib-id contrib-id-type="scopus">16409936300</contrib-id><name-alternatives><name xml:lang="en"><surname>Tsirulev</surname><given-names>Alexander N.</given-names></name><name xml:lang="ru"><surname>Цирулев</surname><given-names>А. Н.</given-names></name></name-alternatives><bio xml:lang="en"><p>Doctor of Sciences in Physics and Mathematics, Professor of the Department of General Mathematics and Mathematical Physics</p></bio><email>tsirulev.an@tversu.ru</email><xref ref-type="aff" rid="aff2"/></contrib></contrib-group><aff-alternatives id="aff1"><aff><institution xml:lang="en">Agostinho Neto University</institution></aff><aff><institution xml:lang="ru">университет им. Агостиньо Нето</institution></aff></aff-alternatives><aff-alternatives id="aff2"><aff><institution xml:lang="en">Tver State University</institution></aff><aff><institution xml:lang="ru">Тверской государственный университет</institution></aff></aff-alternatives><pub-date date-type="pub" iso-8601-date="2023-09-12" publication-format="electronic"><day>12</day><month>09</month><year>2023</year></pub-date><volume>31</volume><issue>3</issue><issue-title xml:lang="en">VOL 31, NO3 (2023)</issue-title><issue-title xml:lang="ru">ТОМ 31, №3 (2023)</issue-title><fpage>247</fpage><lpage>259</lpage><history><date date-type="received" iso-8601-date="2023-09-12"><day>12</day><month>09</month><year>2023</year></date></history><permissions><copyright-statement xml:lang="en">Copyright ©; 2023, André E.L., Tsirulev A.N.</copyright-statement><copyright-statement xml:lang="ru">Copyright ©; 2023, Андре Э.Л., Цирулев А.Н.</copyright-statement><copyright-year>2023</copyright-year><copyright-holder xml:lang="en">André E.L., Tsirulev A.N.</copyright-holder><copyright-holder xml:lang="ru">Андре Э.Л., Цирулев А.Н.</copyright-holder><ali:free_to_read xmlns:ali="http://www.niso.org/schemas/ali/1.0/"/><license><ali:license_ref xmlns:ali="http://www.niso.org/schemas/ali/1.0/">https://creativecommons.org/licenses/by-nc/4.0</ali:license_ref></license></permissions><self-uri xlink:href="https://journals.rudn.ru/miph/article/view/35921">https://journals.rudn.ru/miph/article/view/35921</self-uri><abstract xml:lang="en"><p style="text-align: justify;">We propose an efficient method for Hamiltonian simulation of multi-qubit quantum systems with special types of interaction. In our approach, the Hamiltonian of a <span class="math inline">\(n\)</span>-qubit system should be represented as a linear combination of the standard Pauli basis operators, and then decomposed into a sum of partial Hamiltonians, which are, in general, not Pauli operators and satisfy some anticommutation relations. For three types of Hamiltonians, which are invariant with respect to permutations of qubits, the effectiveness of the main algorithm in the three-qubit cluster model is shown by calculating the operator exponentials for these Hamiltonians in an explicit analytical form. We also calculate the density operator, partition function, entropy, and free energy of the cluster weakly coupled to a thermal environment. In our model, the cluster is in the Gibbs state in the temperature interval <span class="math inline">\(0.1\!-\!2\:\!\text{K}\)</span>, which corresponds to the operating range of modern quantum processors. It follows from our analysis that the thermodynamic properties of such systems strongly depend on the type of internal interaction of qubits in the cluster.</p></abstract><trans-abstract xml:lang="ru"><p style="text-align: justify;">Предлагается эффективный метод математического моделирования гамильтонианов многокубитных квантовых систем с взаимодействием специального вида. В нашем подходе гамильтониан системы <span class="math inline">\(n\)</span> кубитов должен быть представлен линейной комбинацией в стандартном базисе Паули, а затем разложен в сумму частичных гамильтонианов, которые, вообще говоря, не являются операторами Паули и удовлетворяют некоторым антикоммутационным соотношениям. Для трёх типов гамильтонианов, инвариантных относительно перестановок кубитов, эффективность основного алгоритма в модели трёхкубитного кластера показана посредством вычисления операторных экспонент этих гамильтонианов в явном аналитическом виде. Кроме того, вычислен оператор плотности состояния, статистическая сумма, энтропия и свободная энергия для кластера, слабо связанного с термостатом. В нашей модели кластер находится в состоянии Гиббса в интервале температур <span class="math inline">\(0{,}1\!-\!2\,\text{K}\)</span>, что соответствует рабочему диапазону современных квантовых процессоров. Из нашего анализа следует, что термодинамические свойства такой системы сильно зависят от типа внутреннего взаимодействия кубитов в кластере.</p></trans-abstract><kwd-group xml:lang="en"><kwd>Hamiltonian simulation</kwd><kwd>cluster of qubits</kwd><kwd>operator exponential</kwd><kwd>thermal environment</kwd><kwd>Gibbs state</kwd><kwd>thermodynamic properties</kwd></kwd-group><kwd-group xml:lang="ru"><kwd>моделирование квантовых гамильтонианов</kwd><kwd>кластер кубитов</kwd><kwd>операторная экспонента</kwd><kwd>термостат</kwd><kwd>состояние Гиббса</kwd><kwd>термодинамические свойства</kwd></kwd-group><funding-group/></article-meta></front><body></body><back><ref-list><ref id="B1"><label>1.</label><mixed-citation>J. Preskill, “Quantum Computing in the NISQ era and beyond,” Quantum, vol. 2, p. 79, 2018. DOI: 10.22331/q-2018-08-06-79.</mixed-citation></ref><ref id="B2"><label>2.</label><mixed-citation>S. McArdle, S. Endo, A. Aspuru-Guzik, S. C. Benjamin, and X. 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