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Simulating molecules using the Variational Quantum Eigensolver method is one of the promising applications for NISQ-era quantum computers. Designing an efficient ansatz to represent the electronic wave function is crucial in such…

Chemical Physics · Physics 2022-05-09 Dmitry A. Fedorov , Yuri Alexeev , Stephen K. Gray , Matthew Otten

Quantum Annealing, or Quantum Stochastic Optimization, is a classical randomized algorithm which provides good heuristics for the solution of hard optimization problems. The algorithm, suggested by the behaviour of quantum systems, is an…

Quantum Physics · Physics 2011-07-06 Diego de Falco , Dario Tamascelli

This work introduces Q3SAT-GPT, a generative model for discovering quantum circuits for the Max-E3-SAT problem. Our method learns from high-performing QAOA-style ans\"atze to directly generate candidate circuits. To create high-quality…

Quantum Physics · Physics 2026-05-01 Pratim Ugale , Ilya Tyagin , Karunya Shirali , Kien X. Nguyen , Ilya Safro

Targeting error-tolerant applications, approximate computing relaxes rigid functional equivalence to significantly improve power, performance, and area. Traditional approximate logic synthesis (ALS) relies on incremental rewriting, limiting…

Hardware Architecture · Computer Science 2026-04-28 Jingxin Wang , Shitong Guo , Wenhui Liang , Ruicheng Dai , Ruogu Ding , Xin Ning , Weikang Qian

Variational quantum circuits characterise the state of a quantum system through the use of parameters that are optimised using classical optimisation procedures that typically rely on gradient information. The circuit-execution complexity…

Quantum Physics · Physics 2023-07-28 Sayantan Pramanik , Chaitanya Murti , M Girish Chandra

Quantum Architecture Search (QAS) is a promising approach to designing quantum circuits for variational quantum algorithms (VQAs). However, existing QAS algorithms require to evaluate a large number of quantum circuits during the search…

Quantum Physics · Physics 2025-11-18 Zhimin He , Maijie Deng , Shenggen Zheng , Lvzhou Li , Haozhen Situ

Translating a general quantum circuit on a specific hardware topology with a reduced set of available gates, also known as transpilation, comes with a substantial increase in the length of the equivalent circuit. Due to decoherence, the…

Quantum Physics · Physics 2025-10-15 Bodo Rosenhahn , Tobias J. Osborne , Christoph Hirche

Quantum computers are projected to handle the Gibbs sampling and the related inference on Markov networks effectively. Apart from noting the background information useful for those starting the explorations in this important thread of…

Quantum Physics · Physics 2020-06-23 S Ashutosh , Deepankar Sarmah , Sayantan Pramanik , M Girish Chandra

In recent years, quantum annealing has gained the status of being a promising candidate for solving various optimization problems. Using a set of hard 2-satisfiabilty (2-SAT) problems, consisting of upto 18-variables problems, we analyze…

Quantum Physics · Physics 2022-06-09 Vrinda Mehta , Fengping Jin , Hans De Raedt , Kristel Michielsen

Efficient analysis and simulation of multiscale stochastic systems of chemical kinetics is an ongoing area for research, and is the source of many theoretical and computational challenges. In this paper, we present a significant improvement…

Numerical Analysis · Mathematics 2016-09-21 Simon Cotter

High-Entropy Materials are composed of multiple elements on comparatively simpler lattices. Due to the multicomponent nature of such materials, the atomic scale sampling is computationally expensive due to the combinatorial complexity. We…

Materials Science · Physics 2023-02-17 G. Anand

Variational quantum algorithms are suitable for use on noisy quantum systems. One of the most important use-cases is the quantum simulation of materials, using the variational quantum eigensolver (VQE). To optimize VQE performance, a…

Quantum Physics · Physics 2022-01-12 Waheeda Saib , Petros Wallden , Ismail Akhalwaya

Quantum sensing harnesses the unique properties of quantum systems to enable precision measurements of physical quantities such as time, magnetic and electric fields, acceleration, and gravitational gradients well beyond the limits of…

Quantum Physics · Physics 2025-07-23 Ivana Nikoloska , Ruud Van Sloun , Osvaldo Simeone

A common requirement of quantum simulations and algorithms is the preparation of complex states through sequences of 2-qubit gates. For a generic quantum state, the number of gates grows exponentially with the number of qubits, becoming…

Quantum Physics · Physics 2024-07-08 Matan Ben Dov , David Shnaiderov , Adi Makmal , Emanuele G. Dalla Torre

Quantum generative modeling has emerged as a promising application of quantum computers, aiming to model complex probability distributions beyond the reach of classical methods. In practice, however, training such models often requires…

Quantum Physics · Physics 2026-03-13 Zoltán Kolarovszki , Bence Bakó , Michał Oszmaniec , Changhun Oh , Zoltán Zimborás

Quantum computational chemistry has emerged as an important application of quantum computing. Hybrid quantum-classical computing methods, such as variational quantum eigensolvers (VQE), have been designed as promising solutions to quantum…

Simulating molecular systems on quantum processors has the potential to surpass classical methods in computational resource efficiency. The limited qubit connectivity, small processor size, and short coherence times of near-term quantum…

Quantum Physics · Physics 2025-04-08 Abhishek Sadhu , Aritra Sarkar , Akash Kundu

State-of-the-art noisy digital quantum computers can only execute short-depth quantum circuits. Variational algorithms are a promising route to unlock the potential of noisy quantum computers since the depth of the corresponding circuits…

This thesis investigates sampling-based quantum algorithms for electronic ground state energy estimation, focusing on Quantum-Selected Configuration Interaction (QSCI) and Sample-Based Quantum Diagonalization (SQD) as near-term alternatives…

Quantum Physics · Physics 2025-09-29 Abdelmouheymen Rabah Khamadja , Mohamed Taha Rouabah

We introduce a variational quantum annealing (VarQA) algorithm for electronic structure theory, in which we use the quantum annealer as a sampler and prepare an ansatz state through its statistics. We also introduce a strategy called the…

Quantum Physics · Physics 2025-03-20 Ka-Wa Yip , Kübra Yeter-Aydeniz , Sijia S. Dong