The state of quantum computing applications in health and medicine

Research Directions Quantum Technologies, Journal Year: 2023, Volume and Issue: unknown, P. 1 - 21

Published: July 24, 2023

Abstract Quantum computing hardware and software have made enormous strides over the last years 1 . Questions around quantum computing’s impact on research society changed from “if” to “when/how”. The 2020s been described as “quantum decade”, first production solutions that drive scientific business value are expected become available next years. Medicine, including fields in healthcare life sciences, has seen a flurry of quantum-related activities experiments few (although medicine theory arguably entangled ever since Schrödinger’s cat 2 ). initial focus was biochemical computational biology problems 3 , 4 5 6 7 8 ; recently, however, clinical medical drawn increasing interest. rapid emergence health necessitates mapping landscape. In this review, proof-of-concept applications outlined put into perspective. These consist 40 experimental theoretical studies use case areas span genomics, discovery, diagnostics, treatments interventions. machine learning (QML) particular rapidly evolved shown be competitive with classical benchmarks recent research. Near-term QML algorithms, for instance, support vector classifiers neural networks, trained diverse real-world data sets. This includes generating new molecular entities drug candidates, diagnosing based image classification, predicting patient persistence, forecasting treatment effectiveness, tailoring radiotherapy. cases applied algorithms summarized. addition, review provides an outlook era. There much discussion about healthcare’s journey towards precision quadruple aim (better health, lower costs, enhanced experiences, improved practitioner work lives) 9 While range technical ethical challenges remain, is poised key enabler advancing holy grail: keeping people healthy through proactive care guidance at level individual.

Language: Английский

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From portfolio optimization to quantum blockchain and security: a systematic review of quantum computing in finance

Financial Innovation, Journal Year: 2025, Volume and Issue: 11(1)

Published: Feb. 26, 2025

Abstract The rapid advancement of quantum computing has sparked a considerable increase in research attention to technologies. These advances span fundamental theoretical inquiries into information and the exploration diverse applications arising from this evolving paradigm. scope related is notably diverse. This paper consolidates presents financial sector. finance considered study include portfolio optimization, fraud detection, Monte Carlo methods for derivative pricing risk calculation. In addition, we provide comprehensive analysis computing’s effects on blockchain technologies, particularly relation cryptocurrencies, which are central technology research. As discussed study, based physics principles key algorithms. review aims bridge gap between finance. We adopt two-fold methodology, involving an algorithms , followed by discussion their specific contexts. Our extensive online academic databases, search tools, journal repositories, whitepapers 1952 2023, including CiteSeerX, DBLP, ResearchGate, Semantic Scholar, scientific conference publications. present state-of-the-art findings at intersection highlight open questions that will be valuable industry practitioners academicians as they shape future agendas.

Language: Английский

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Quantum mechanical-based strategies in drug discovery: Finding the pace to new challenges in drug design

Current Opinion in Structural Biology, Journal Year: 2024, Volume and Issue: 87, P. 102870 - 102870

Published: June 24, 2024

The expansion of the chemical space to tangible libraries containing billions synthesizable molecules opens exciting opportunities for drug discovery, but also challenges power computer-aided design prioritize best candidates. This directly hits quantum mechanics (QM) methods, which provide chemically accurate properties, subject small-sized systems. Preserving accuracy while optimizing computational cost is at heart many efforts develop high-quality, efficient QM-based strategies, reflected in refined algorithms and approaches. QM-tailored physics-based force fields coupling QM with machine learning, conjunction computing performance supercomputing resources, will enhance ability use these methods discovery. challenge formidable, we undoubtedly see impressive advances that define a new era.

Language: Английский

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High Ground State Overlap via Quantum Embedding Methods

PRX Life, Journal Year: 2025, Volume and Issue: 3(1)

Published: Jan. 14, 2025

Quantum computers can accurately compute ground state energies using phase estimation, but this requires a guiding that has significant overlap with the true state. For large molecules and extended materials, it becomes difficult to find states good for growing molecule sizes. Additionally, required number of qubits quantum gates may become prohibitively large. One approach dealing these challenges is use embedding method, which allows reduction one or multiple smaller cores embedded in larger region. In such situations, unclear how method affects hardness constructing states. work, we therefore investigate preparation context methods. We extend previous work on impurity problems, framework rigorously analyze subset orbitals. While there exist results optimal active orbital space selection terms energy minimization, demonstrate same principles be used define selected spaces Moreover, perform numerical studies molecular systems relevant biochemistry, field methods are due size biomacromolecules as proteins nucleic acids. two different strategies exhibit qualitatively entanglement. all cases, easy-to-obtain mean-field will have sufficiently high target estimation. Published by American Physical Society 2025

Language: Английский

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Quantum-computing-enhanced algorithm unveils potential KRAS inhibitors

Nature Biotechnology, Journal Year: 2025, Volume and Issue: unknown

Published: Jan. 22, 2025

We introduce a quantum–classical generative model for small-molecule design, specifically targeting KRAS inhibitors cancer therapy. apply the method to select and synthesize 15 proposed molecules that could notably engage with therapy, two holding promise future development as inhibitors. This work showcases potential of quantum computing generate experimentally validated hits compare favorably against classical models. A hybrid combines approaches compounds protein.

Language: Английский

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Challenges and opportunities in quantum computing in healthcare

Elsevier eBooks, Journal Year: 2025, Volume and Issue: unknown, P. 91 - 118

Published: Jan. 1, 2025

Language: Английский

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Classical and quantum cost of measurement strategies for quantum-enhanced auxiliary field Quantum Monte Carlo

New Journal of Physics, Journal Year: 2024, Volume and Issue: 26(3), P. 033022 - 033022

Published: March 1, 2024

Abstract Quantum-enhanced auxiliary field quantum Monte Carlo (QC-AFQMC) uses output from a computer to increase the accuracy of its classical counterpart. The algorithm requires estimation overlaps between walker states and trial wavefunction prepared on computer. We study applicability this in terms number measurements required costs post-processing those measurements. compare state-of-the-art measurement schemes using shadows determine argue that overall cost stemming overlap estimations scales like O ( N 9 stretchy="false">) per throughout algorithm. With further numerical simulations, we variance behavior when randomizing over different ensembles, e.g. Cliffords (particle-number restricted) matchgates beyond their respective bounds, uncover existence covariances AFQMC walkers at imaginary time steps. Moreover, include analyses how error propagates into energy discuss scaling increasing system size.

Language: Английский

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Toward structure–multiple activity relationships (SMARts) using computational approaches: A polypharmacological perspective

Drug Discovery Today, Journal Year: 2024, Volume and Issue: 29(7), P. 104046 - 104046

Published: May 27, 2024

Language: Английский

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Science, technology, engineering, and mathematics undergraduates’ knowledge and interest in quantum careers: Barriers and opportunities to building a diverse quantum workforce

Physical Review Physics Education Research, Journal Year: 2024, Volume and Issue: 20(1)

Published: May 8, 2024

Efforts to build the workforce in support of second quantum revolution are growing, including creation education programs that will prepare students for jobs this area. We surveyed 186 undergraduate with majors across science, technology, engineering, and math (STEM) disciplines followed up group interviews understand their perspectives. The project was designed what these STEM know about career opportunities level interest pursuing a related quantum. found most very little Nevertheless, except life sciences, there an careers. Across majors, women were less likely express careers than men, but difference disappeared when we examined only physical computer science majors. Of few who had knowledge concepts, learned topic from online media, especially videos. Some reported learning high school classes, where it taught as extension beyond usual topics course. our study identified multiple ways they would like learn more quantum, short videos, seminars, courses, certificates, degree programs. Published by American Physical Society 2024

Language: Английский

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A hybrid quantum computing pipeline for real world drug discovery

Scientific Reports, Journal Year: 2024, Volume and Issue: 14(1)

Published: July 23, 2024

Abstract Quantum computing, with its superior computational capabilities compared to classical approaches, holds the potential revolutionize numerous scientific domains, including pharmaceuticals. However, application of quantum computing for drug discovery has primarily been limited proof-of-concept studies, which often fail capture intricacies real-world development challenges. In this study, we diverge from conventional investigations by developing a hybrid pipeline tailored address genuine design problems. Our approach underscores computation in and propels it towards more scalable system. We specifically construct our versatile two critical tasks discovery: precise determination Gibbs free energy profiles prodrug activation involving covalent bond cleavage, accurate simulation interactions. This work serves as pioneering effort benchmarking against veritable scenarios encountered design, especially bonding issue present both case thereby transitioning theoretical models tangible applications. results demonstrate integration into real world workflows.

Language: Английский

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