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Accurate calculation of strongly correlated electronic systems requires proper treatment of both static and dynamic correlations, which remains challenging for conventional methods. To address this, we present VQE-PDFT,aquantum-classical…

Quantum Physics · Physics 2026-04-20 Yibo Chen , Zirui Sheng , Weitang Li , Yong Zhang , Xun Xu , Jun-Han Huang , Yuxiang Li

We simulate a long-range extended Ising model in one dimension using a hybrid quantum algorithm, namely Variational Quantum Eigensolver (VQE). In this quantum simulation, we investigate how quantum resources scale with system size and…

Quantum Physics · Physics 2026-04-21 Tanya Keshari , Debasis Sadhukhan

The still-maturing noisy intermediate-scale quantum (NISQ) technology faces strict limitations on the algorithms that can be implemented efficiently. In quantum chemistry, the variational quantum eigensolver (VQE) algorithm has become…

Quantum Physics · Physics 2021-06-29 Daniel Claudino , Bo Peng , Nicholas P. Bauman , Karol Kowalski , Travis S. Humble

Accurate quantum chemistry simulations remain challenging on classical computers for problems of industrially relevant sizes and there is reason for hope that quantum computing may help push the boundaries of what is technically feasible.…

Quantum Physics · Physics 2021-03-17 Vincent E. Elfving , Marta Millaruelo , José A. Gámez , Christian Gogolin

Quantum computing is an emerging technology in which quantum mechanical properties are suitably utilized to perform certain compute-intensive operations faster than classical computers. Quantum algorithms are designed as a combination of…

Emerging Technologies · Computer Science 2023-06-06 Aravind Joshi , Akshara Kairali , Renju Raju , Adithya Athreya , Reena Monica P , Sanjay Vishwakarma , Srinjoy Ganguly

The execution of quantum circuits on real systems has largely been limited to those which are simply time-ordered sequences of unitary operations followed by a projective measurement. As hardware platforms for quantum computing continue to…

The ADAPT-VQE algorithm is a promising method for generating a compact ansatz based on derivatives of the underlying cost function, and it yields accurate predictions of electronic energies for molecules. In this work we report the…

Quantum computing has garnered attention for its potential to solve complex computational problems with considerable speedup. Despite notable advancements in the field, achieving meaningful scalability and noise control in quantum hardware…

Quantum Physics · Physics 2025-05-12 Eduardo Willwock Lussi , Rafael de Santiago , Eduardo Inacio Duzzioni

Variational Quantum Eigensolver (VQE) faces significant challenges due to hardware noise and the presence of barren plateaus and local traps in the optimization landscape. To mitigate the detrimental effects of these issues, we introduce a…

Quantum Physics · Physics 2025-12-09 Chayan Patra , Rahul Maitra

The variational quantum eigensolver (VQE) algorithm, designed to calculate the energy of molecular ground states on near-term quantum computers, requires specification of symmetries that describe the system, e.g. spin state and number of…

Quantum Physics · Physics 2020-06-18 Gabriel Greene-Diniz , David Muñoz Ramo

Analog quantum optimization methods, such as quantum annealing, are promising and at least partially noise tolerant ways to solve hard optimization and sampling problems with quantum hardware. However, they have thus far failed to…

Mesoscale and Nanoscale Physics · Physics 2023-06-21 Gianni Mossi , Vadim Oganesyan , Eliot Kapit

We compare several quantum phase estimation (QPE) protocols intended for early fault-tolerant quantum computers (EFTQCs) in the context of models of their implementations on a surface code architecture. We estimate the logical and physical…

Quantum Physics · Physics 2024-03-04 Jacob S. Nelson , Andrew D. Baczewski

Quantum computing has the potential to solve problems that are intractable for classical computers, with possible applications in areas such as drug discovery and high-energy physics. However, the practical implementation of quantum…

Quantum Physics · Physics 2025-11-14 Remmy Zen , Maximilian Nägele , Florian Marquardt

Quantum simulation of molecular electronic structure is one of the most promising applications of quantum computing. However, achieving chemically accurate predictions for strongly correlated systems requires quantum phase estimation (QPE)…

Quantum Physics · Physics 2026-03-31 Shota Kanasugi , Riki Toshio , Kazunori Maruyama , Hirotaka Oshima

Decoherence of quantum states is a major hurdle towards scalable and reliable quantum computing. Lower decoherence (i.e., higher fidelity) can alleviate the error correction overhead and obviate the need for energy-intensive noise reduction…

Emerging Technologies · Computer Science 2019-04-10 Abdullah Ash Saki , Mahabubul Alam , Swaroop Ghosh

Quantum squaring operation is a useful building block in implementing quantum algorithms such as linear regression, regularized least squares algorithm, order-finding algorithm, quantum search algorithm, Newton Raphson division, Euclidean…

Quantum Physics · Physics 2024-06-05 Afrin Sultana , Edgard Muñoz-Coreas

In this work we investigate methods to improve the efficiency and scalability of quantum algorithms for quantum chemistry applications. We propose a transformation of the electronic structure Hamiltonian in the second quantization framework…

Simulating noisy quantum circuits is vital in designing and verifying quantum algorithms in the current NISQ (Noisy Intermediate-Scale Quantum) era, where quantum noise is unavoidable. However, it is much more inefficient than the classical…

Quantum Physics · Physics 2023-11-27 Mingyu Huang , Ji Guan , Wang Fang , Mingsheng Ying

Simulating open quantum systems on quantum computers presents a fundamental challenge: open quantum dynamics are intrinsically nonunitary, whereas quantum computers operate through unitary evolution. Conventional approaches overcome this…

Quantum Physics · Physics 2025-10-27 Sameer Dambal , Akira Sone , Yu Zhang

Optimizing quantum circuits is critical for enhancing computational speed and mitigating errors caused by quantum noise. Effective optimization must be achieved without compromising the correctness of the computations. This survey explores…

Quantum Physics · Physics 2025-01-03 Krishnageetha Karuppasamy , Varun Puram , Stevens Johnson , Johnson P Thomas
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