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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.
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http://dx.doi.org/10.1021/acs.jctc.3c00316 | DOI Listing |
Sci Rep
August 2025
Department of Physics, University of Maryland, Baltimore County, Baltimore, MD, 21250, USA.
In the current era of noisy intermediate-scale quantum (NISQ) technology, quantum devices present new avenues for addressing complex, real-world challenges including potentially NP-hard optimization problems. Acknowledging the fact that quantum methods underperform classical solvers, the primary goal of our research is to demonstrate how to leverage quantum noise as a computational resource for optimization. This work aims to showcase how the inherent noise in NISQ devices can be leveraged to solve such real-world problems effectively.
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August 2025
Bundesdruckerei GmbH, Kommandantenstraße 18, 10969, Berlin, Germany.
In recent years, variational quantum algorithms have garnered significant attention as a candidate approach for near-term quantum advantage using noisy intermediate-scale quantum (NISQ) devices. In this article we introduce kernel descent, a novel algorithm for minimizing the functions underlying variational quantum algorithms. We compare kernel descent to existing methods and carry out extensive experiments to demonstrate its effectiveness.
View Article and Find Full Text PDFiScience
August 2025
Centre for Quantum Technologies, National University of Singapore, Singapore 117543, Singapore.
Advancements in classical computing have propelled machine learning applications, yet inherent limitations persist in terms of energy, resource, and speed. Quantum machine learning offers a promising avenue to overcome these limitations but poses its own hurdles. This experimental study investigates the training limits of a real quantum-classical hybrid system on an ion-trap platform using supervised protocols.
View Article and Find Full Text PDFEntropy (Basel)
June 2025
Department of Physics, University of Maryland, Baltimore County (UMBC), Baltimore, MD 21250, USA.
Simon's algorithm was one of the first to demonstrate a genuine quantum advantage in solving a problem. The algorithm, however, assumes access to fault-tolerant qubits. In our work, we use Simon's algorithm to benchmark the error rates of devices currently available in the "quantum cloud".
View Article and Find Full Text PDFJ Chem Theory Comput
July 2025
Robert Frederick Smith School of Chemical and Biomolecular Engineering, Cornell University, Ithaca, New York 14853, United States.
The generation of chemical molecular structures is crucial for advancements in drug design, materials science, and related fields. With the rise of artificial intelligence, numerous generative models have been developed to propose promising molecular structures to specific challenges. However, exploring the vast chemical space using classical generative models demands extensive chemical structure data, considerable computational resources, and a large number of model parameters, which hinders their efficiency.
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