Challenges
Datasets
Workspaces
Papers
Discussions
Leaderboard
Log inSign up
Challenges
Datasets
Workspaces
Papers
Discussions
Leaderboard
Blog
Job Board
Q3AS

© 2026 Aqora Quantum S.A.S.

TermsPrivacyLegal Notice

Vertex

Quantum-assisted NMR data processing: enhancing sensitivity and resolution with quantum computing algorithms

Vaara Bugay Russell, Outeiral Strahm Sushkov, Koch Bohnet Böhm

Published Dec 30, 2022• 0 citations
Publisher

Abstract

Quantum computing is used to improve NMR spectroscopy sensitivity and resolution. Many scientific fields employ NMR to analyze molecular structures and interactions. Typical NMR data processing algorithms have limitations, especially in recognizing low-abundance compounds and resolving overlapping signals. To solve NMR data processing problems, the proposed research uses quantum algorithms, simulations, and a hybrid quantum-classical approach. Quantum Fourier transform (QFT) enhances sensitivity and quantum phase estimation (QPE) improves resolution. The QFT accelerates data analysis using quantum parallelism to detect low-concentration chemicals. QPEs accurately estimate phases, resolve overlapping peaks, and improve peak assignments. Quantum-assisted NMR data processing improvements are shown numerically. Quantum algorithms improve sensitivity and resolution, allowing delicate signals and correct structural assessments. This study also addresses quantum hardware restrictions, noise, and efficient quantum algorithm design. Quantum-assisted NMR data processing has the potential to transform NMR spectroscopy. Researchers can acquire new accuracy and sensitivity into molecule structures, interactions, and dynamics by linking quantum computers and NMR data analysis. This research advances quantum computing and NMR spectroscopy and lays the groundwork for future studies on quantum-assisted approaches in real-world NMR applications. Quantum-assisted data processing will enable novel molecular characterisation methods and groundbreaking scientific discoveries as quantum technologies advance.

DOI
10.35335/a79g5q93

Related papers

Quantum Algorithms for Image Processing: Enhancing Computational Efficiency and Accuracy in High-Dimensional Visual Data Analysis

Ata Ulaş Güler

Quantum algorithms have emerged as a transformative approach to address the computational challenges of high-dimensional image processing tasks. This research investigates the integration of quantum computing principles, such as Quantum Fourier Transform (QFT) and Quantum Principal Component Analysis (QPCA), to optimize processes like edge detection, noise reduction, and image segmentation. These quantum-enhanced techniques promise significant improvements in computational efficiency and accuracy compared to classical methods, especially when handling complex visual data in real-time applications like medical imaging, satellite imagery, and autonomous systems. Additionally, the study explores hybrid quantum-classical architectures to bridge current limitations in noisy intermediate-scale quantum (NISQ) devices, ensuring resource optimization and scalability. The potential of quantum algorithms to provide faster, more precise solutions is evaluated alongside challenges like error mitigation and algorithmic stability. This research highlights the future role of quantum computing in revolutionizing image processing, paving the way for breakthroughs in computer vision and artificial intelligence.

Human computer interaction.•Nov 27, 2024•1 citation

Quantum Computing in Molecular Science: Quantum Chemistry, Bioinformatics, and Machine Learning in the NISQ Era

Priya Vij, Sushree Sasmita Dash, Akanksha Mishra

Quantum computing is emerging as a transformative approach in bioinformatics and quantum chemistry, addressing fundamental computational limitations of classical methods in molecular science. Many biological and chemical systems are inherently governed by quantum mechanics, making accurate simulation with classical algorithms computationally expensive or infeasible. This review examines how quantum computing, particularly in the Noisy Intermediate-Scale Quantum (NISQ) era, is advancing molecular modeling, reaction dynamics, and bioinformatics applications. Key quantum algorithms, including the Variational Quantum Eigensolver (VQE) and Quantum Phase Estimation (QPE), demonstrate increasing capability in approximating molecular energies and simulating quantum systems. In parallel, applications in bioinformatics—such as protein folding, genomic search, and combinatorial optimization—highlight the potential of quantum computing to address complex biological problems. Quantum machine learning further extends these capabilities by integrating quantum algorithms with data-driven modeling. However, current progress is constrained by NISQ-era limitations, including noise, limited qubit counts, and scalability challenges. These constraints highlight the need for hybrid quantum–classical approaches and improved error mitigation strategies. Overall, quantum computing represents a complementary computational paradigm that can enhance classical methods in bioinformatics and chemistry. Continued advances in quantum algorithms, hardware, and hybrid modeling frameworks are expected to expand its role in molecular science and computational biology.

Bioinfo Chem•Jan 1, 2022•0 citations

Advancements in predictive modeling of nuclear magnetic resonance parameters: integrating quantum mechanics, machine learning, and quantum computing

Jonhariono Sihotang, Patrisius Michaud Felix Marsoit

This research explores the integration of quantum mechanics, machine learning, and quantum computing to advance predictive modeling of nuclear magnetic resonance (NMR) parameters. The aim is to develop a hybrid quantum-enhanced machine learning model that combines the accuracy of quantum calculations with the efficiency of machine learning techniques for predicting NMR chemical shifts. The conceptual framework involves quantum mechanical calculations for accurate reference NMR parameters, supervised machine learning models trained on diverse molecular datasets, and hybrid quantum-classical algorithms to leverage quantum computing resources. A simplified numerical example demonstrates the potential of the proposed model for predicting NMR chemical shifts for small molecular systems. The results showcase the model's ability to capture underlying relationships between molecular features and NMR observables, indicating promise for larger and more complex systems. This interdisciplinary approach opens new avenues for advancing NMR spectroscopy and understanding molecular structures, dynamics, and interactions in various scientific domains. The research also discusses challenges and opportunities in integrating quantum mechanics, machine learning, and quantum computing, emphasizing the importance of diverse datasets and quantum algorithm selection. The proposed model holds significant implications for transforming NMR parameter predictions and contributing to chemistry, biochemistry, and materials science research

Vertex•Dec 30, 2022•0 citations

Quantum Computing Application in High Precision Measurement System for Physical Science

Revathi Revathi P, Omar Isam Al Mrayat, K. Lakshmisarada +3 more

Quantum computing can transform the field of highly-precise measurement systems in the physical sciences with new levels of sensitivity, resolution, and capability to compute data. Quantum-enhanced measurement systems may also reach levels of precision that are constrained by the inherent quantum noise due to quantum superposition, entanglement and coherence. This opens up to innovations in such research as magnetic field sensing, atomic clock synchronization, and seeing gravitational waves. Quantum computing can be used to retrieve high-fidelity information in noisy data, improvements in signal-to-noise ratios by quantum techniques, like phase estimation and the Quantum Fourier Transform, are possible, and quantum techniques have been demonstrated to surpass classical limits. Moreover, quantum sensors that are integrated into quantum computing structures make real-time feedback and adaptive measurement methods feasible, dynamically optimising system efficiency. Moreover, quantity metrology combined with quantum computing enables sensitive studies in fundamental physics, including experimental tests of quantum gravity or a study of the dark matter. Current developments in error correction and hardware design are rapidly enhancing the usefulness of quantum systems in practice, even in the face of the current technological challenges of qubit decoherence and scalability. This paper discusses the current state of quantum computing in the field of precision measurement and potential future directions, the way that quantum computing might transform the physical sciences and push the boundaries of experimental accuracy.

International Conference on Recent Trends in Computer Science and Technology (ICRTCST)•Jan 29, 2026•0 citations

Investigating Hybrid Algorithms for Quantum Computing in Machine Learning: Improving Data Processing Speed and Handling Complex Problems

K Nandini, Davinder Pal Singh, Velayutham Rethnagurusamy Kavitha +3 more

Quantum computers acting as ML accelerators have attracted considerable interest as a promising avenue for addressing the limitations of classical computing confronted with solving complex, high-dimensional problems and handling large data sets. The most exciting aspect of quantum computing lies in its quantum advantage via techniques such as quantum parallelism, superposition, and entanglement which allows not only for rapid data processing, but also a means to resolve complex optimization problems beyond the capacity of classical algorithms. Nevertheless, the usage of quantum computing in machine learning is still a fledgling domain, with challenges concerning quantum noise, hardware restrictions, and algorithmic development. In particular, this research is concerned with the development of and study on hybrid quantum-classical algorithms that target to improve ML models in terms of computational capabilities by making use of the best of both worlds. To address this, researchers are developing hybrid algorithms that leverage the strengths of quantum computing for specific tasks, like optimization and pattern recognition, while still relying on classical computing for more flexible and larger-scale processing, ultimately achieving more efficient machine learning systems that can handle large datasets and complex problem-solving more effectively. It includes potential hybrid approaches like quantum-enhanced optimization algorithms, quantum neural networks, and quantum support vector machines, and examines how such algorithms can be used for practical ML problems including data classification, regression and clustering. Furthermore, the paper proposes that hybrid quantum algorithms offer several advantages over their classical counterparts, such as faster convergence rates, higher accuracy in high-dimensional spaces, and improved handling of non-linear and complex problem landscapes. Key advancements in the area of data processing speed and efficiency in problem-solving with and without quantum in the machine learning workflow are also highlighted in the research through comparative analysis and simulation studies. Lastly, the paper concludes by outlining the obstacles yet to be surmounted and the opportunities that lie ahead for hybrid quantum-classical algorithms, such as further improvement of quantum hardware and error mitigation methods, as well as the design of new algorithmic paradigms that seamlessly integrates the classical and quantum computing spaces.

International Conference on Networks and Cryptology (NETCRYPT)•May 29, 2025•1 citation

Hybrid Algorithms for Image Processing Leveraging Quantum Computing for Enhanced Performance

J. Ramprabu, S Prabhavathy

The integration of quantum computing into image processing represents a significant advancement in computational technology, offering transformative capabilities that enhance performance, efficiency, and accuracy. This chapter explores hybrid quantum-classical algorithms, focusing on how quantum subroutines can be integrated into classical image processing workflows. A comparative analysis of various quantum image encoding techniques highlights their strengths and limitations, paving the way for optimized applications across diverse fields. Key advantages of quantum-enhanced image processing, such as improved speed in high-resolution data analysis and superior optimization methods, are discussed in relation to real-world applications, including medical imaging and computer vision. The chapter anticipates future developments in quantum technology, emphasizing the need for interdisciplinary collaboration to unlock the full potential of quantum computing in digital image applications. By addressing the critical gaps in current methodologies, this work aims to inspire further research and innovation in the realm of quantum-enhanced image processing.

•Dec 7, 2024•0 citations
Quantum computing is used to improve NMR spectroscopy sensitivity and resolution. Many scientific fields employ NMR to analyze molecular structures and interactions. Typical NMR data processing algorithms have limitations, especially in recognizing low-abundance compounds and resolving overlapping signals. To solve NMR data processing problems, the proposed research uses quantum algorithms, simulations, and a hybrid quantum-classical approach. Quantum Fourier transform (QFT) enhances sensitivity and quantum phase estimation (QPE) improves resolution. The QFT accelerates data analysis using quantum parallelism to detect low-concentration chemicals. QPEs accurately estimate phases, resolve overlapping peaks, and improve peak assignments. Quantum-assisted NMR data processing improvements are shown numerically. Quantum algorithms improve sensitivity and resolution, allowing delicate signals and correct structural assessments. This study also addresses quantum hardware restrictions, noise, and efficient quantum algorithm design. Quantum-assisted NMR data processing has the potential to transform NMR spectroscopy. Researchers can acquire new accuracy and sensitivity into molecule structures, interactions, and dynamics by linking quantum computers and NMR data analysis. This research advances quantum computing and NMR spectroscopy and lays the groundwork for future studies on quantum-assisted approaches in real-world NMR applications. Quantum-assisted data processing will enable novel molecular characterisation methods and groundbreaking scientific discoveries as quantum technologies advance.
Quantum algorithms have emerged as a transformative approach to address the computational challenges of high-dimensional image processing tasks. This research investigates the integration of quantum computing principles, such as Quantum Fourier Transform (QFT) and Quantum Principal Component Analysis (QPCA), to optimize processes like edge detection, noise reduction, and image segmentation. These quantum-enhanced techniques promise significant improvements in computational efficiency and accuracy compared to classical methods, especially when handling complex visual data in real-time applications like medical imaging, satellite imagery, and autonomous systems. Additionally, the study explores hybrid quantum-classical architectures to bridge current limitations in noisy intermediate-scale quantum (NISQ) devices, ensuring resource optimization and scalability. The potential of quantum algorithms to provide faster, more precise solutions is evaluated alongside challenges like error mitigation and algorithmic stability. This research highlights the future role of quantum computing in revolutionizing image processing, paving the way for breakthroughs in computer vision and artificial intelligence.
Quantum computing is emerging as a transformative approach in bioinformatics and quantum chemistry, addressing fundamental computational limitations of classical methods in molecular science. Many biological and chemical systems are inherently governed by quantum mechanics, making accurate simulation with classical algorithms computationally expensive or infeasible. This review examines how quantum computing, particularly in the Noisy Intermediate-Scale Quantum (NISQ) era, is advancing molecular modeling, reaction dynamics, and bioinformatics applications. Key quantum algorithms, including the Variational Quantum Eigensolver (VQE) and Quantum Phase Estimation (QPE), demonstrate increasing capability in approximating molecular energies and simulating quantum systems. In parallel, applications in bioinformatics—such as protein folding, genomic search, and combinatorial optimization—highlight the potential of quantum computing to address complex biological problems. Quantum machine learning further extends these capabilities by integrating quantum algorithms with data-driven modeling. However, current progress is constrained by NISQ-era limitations, including noise, limited qubit counts, and scalability challenges. These constraints highlight the need for hybrid quantum–classical approaches and improved error mitigation strategies. Overall, quantum computing represents a complementary computational paradigm that can enhance classical methods in bioinformatics and chemistry. Continued advances in quantum algorithms, hardware, and hybrid modeling frameworks are expected to expand its role in molecular science and computational biology.
This research explores the integration of quantum mechanics, machine learning, and quantum computing to advance predictive modeling of nuclear magnetic resonance (NMR) parameters. The aim is to develop a hybrid quantum-enhanced machine learning model that combines the accuracy of quantum calculations with the efficiency of machine learning techniques for predicting NMR chemical shifts. The conceptual framework involves quantum mechanical calculations for accurate reference NMR parameters, supervised machine learning models trained on diverse molecular datasets, and hybrid quantum-classical algorithms to leverage quantum computing resources. A simplified numerical example demonstrates the potential of the proposed model for predicting NMR chemical shifts for small molecular systems. The results showcase the model's ability to capture underlying relationships between molecular features and NMR observables, indicating promise for larger and more complex systems. This interdisciplinary approach opens new avenues for advancing NMR spectroscopy and understanding molecular structures, dynamics, and interactions in various scientific domains. The research also discusses challenges and opportunities in integrating quantum mechanics, machine learning, and quantum computing, emphasizing the importance of diverse datasets and quantum algorithm selection. The proposed model holds significant implications for transforming NMR parameter predictions and contributing to chemistry, biochemistry, and materials science research
Quantum computing can transform the field of highly-precise measurement systems in the physical sciences with new levels of sensitivity, resolution, and capability to compute data. Quantum-enhanced measurement systems may also reach levels of precision that are constrained by the inherent quantum noise due to quantum superposition, entanglement and coherence. This opens up to innovations in such research as magnetic field sensing, atomic clock synchronization, and seeing gravitational waves. Quantum computing can be used to retrieve high-fidelity information in noisy data, improvements in signal-to-noise ratios by quantum techniques, like phase estimation and the Quantum Fourier Transform, are possible, and quantum techniques have been demonstrated to surpass classical limits. Moreover, quantum sensors that are integrated into quantum computing structures make real-time feedback and adaptive measurement methods feasible, dynamically optimising system efficiency. Moreover, quantity metrology combined with quantum computing enables sensitive studies in fundamental physics, including experimental tests of quantum gravity or a study of the dark matter. Current developments in error correction and hardware design are rapidly enhancing the usefulness of quantum systems in practice, even in the face of the current technological challenges of qubit decoherence and scalability. This paper discusses the current state of quantum computing in the field of precision measurement and potential future directions, the way that quantum computing might transform the physical sciences and push the boundaries of experimental accuracy.
Quantum computers acting as ML accelerators have attracted considerable interest as a promising avenue for addressing the limitations of classical computing confronted with solving complex, high-dimensional problems and handling large data sets. The most exciting aspect of quantum computing lies in its quantum advantage via techniques such as quantum parallelism, superposition, and entanglement which allows not only for rapid data processing, but also a means to resolve complex optimization problems beyond the capacity of classical algorithms. Nevertheless, the usage of quantum computing in machine learning is still a fledgling domain, with challenges concerning quantum noise, hardware restrictions, and algorithmic development. In particular, this research is concerned with the development of and study on hybrid quantum-classical algorithms that target to improve ML models in terms of computational capabilities by making use of the best of both worlds. To address this, researchers are developing hybrid algorithms that leverage the strengths of quantum computing for specific tasks, like optimization and pattern recognition, while still relying on classical computing for more flexible and larger-scale processing, ultimately achieving more efficient machine learning systems that can handle large datasets and complex problem-solving more effectively. It includes potential hybrid approaches like quantum-enhanced optimization algorithms, quantum neural networks, and quantum support vector machines, and examines how such algorithms can be used for practical ML problems including data classification, regression and clustering. Furthermore, the paper proposes that hybrid quantum algorithms offer several advantages over their classical counterparts, such as faster convergence rates, higher accuracy in high-dimensional spaces, and improved handling of non-linear and complex problem landscapes. Key advancements in the area of data processing speed and efficiency in problem-solving with and without quantum in the machine learning workflow are also highlighted in the research through comparative analysis and simulation studies. Lastly, the paper concludes by outlining the obstacles yet to be surmounted and the opportunities that lie ahead for hybrid quantum-classical algorithms, such as further improvement of quantum hardware and error mitigation methods, as well as the design of new algorithmic paradigms that seamlessly integrates the classical and quantum computing spaces.
The integration of quantum computing into image processing represents a significant advancement in computational technology, offering transformative capabilities that enhance performance, efficiency, and accuracy. This chapter explores hybrid quantum-classical algorithms, focusing on how quantum subroutines can be integrated into classical image processing workflows. A comparative analysis of various quantum image encoding techniques highlights their strengths and limitations, paving the way for optimized applications across diverse fields. Key advantages of quantum-enhanced image processing, such as improved speed in high-resolution data analysis and superior optimization methods, are discussed in relation to real-world applications, including medical imaging and computer vision. The chapter anticipates future developments in quantum technology, emphasizing the need for interdisciplinary collaboration to unlock the full potential of quantum computing in digital image applications. By addressing the critical gaps in current methodologies, this work aims to inspire further research and innovation in the realm of quantum-enhanced image processing.