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Clinical trials are necessary for assessing the safety and efficacy of treatments. However, trial timelines are severely delayed with minimal success due to a multitude of factors, including imperfect trial site selection, cohort recruitment challenges, lack of efficacy, absence of reliable biomarkers, etc. Each of these factors possesses a unique computational challenge, such as data management, trial simulations, statistical analyses, and trial optimization. Recent advancements in quantum computing offer a promising opportunity to overcome these hurdles. In this opinion we uniquely explore the application of quantum optimization and quantum machine learning (QML) to the design and execution of clinical trials. We examine the current capabilities and limitations of quantum computing and outline its potential to streamline clinical trials.
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http://dx.doi.org/10.1016/j.tips.2024.08.005 | DOI Listing |
J Phys Chem A
September 2025
Dipartimento di Scienze Fisiche e Chimiche, Università degli Studi dell'Aquila, Coppito, L'Aquila 67100, Italy.
In recent years Quantum Computing prominently entered in the field of Computational Chemistry, importing and transforming computational methods and ideas originally developed within other disciplines, such as Physics, Mathematics and Computer Science into algorithms able to estimate quantum properties of atoms and molecules on present and future quantum devices. An important role in this contamination process is attributed to Quantum Information techniques, having the 2-fold role of contributing to the analysis of electron correlation and entanglements and guiding the construction of wave function variational ansatzes for the Variational Quantum Eigensolver technique. This paper introduces the tool SparQ (Sparse Quantum state analysis), designed to efficiently compute fundamental quantum information theory observables on post-Hartree-Fock wave functions sparse in their definition space.
View Article and Find Full Text PDFJ Phys Chem A
September 2025
Univ. Rennes, CNRS, IPR (Institut de Physique de Rennes), UMR 6251, Rennes F-35000, France.
We present the first dataset of collisional (de)-excitation rate coefficients of HCN induced by CO, one of the main perturbing gases in cometary atmospheres. The dataset spans the temperature range of 5-50 K. It includes both state-to-state rate coefficients involving the lowest ten and nine rotational levels of HCN and CO, respectively, and the so-called "thermalized" rate coefficients over the rotational population of CO at each kinetic temperature.
View Article and Find Full Text PDFJ Am Chem Soc
September 2025
Kathleen Lonsdale Materials Chemistry, Department of Chemistry, University College London, London WC1H 0AJ, U.K.
The exceptional performance of ceria (CeO) in catalysis and energy conversion is fundamentally governed by its defect chemistry, particularly oxygen vacancies. The formation of each oxygen vacancy (V) is assumed to be compensated by two localized electrons on cations (Ce). Here, we show by combining theory with experiment that while this 1 V: 2Ce ratio accounts for the global charge compensation, it does not apply at the local scale, particularly in nanoparticles.
View Article and Find Full Text PDFACS Appl Mater Interfaces
September 2025
Chemical and Biological Engineering, University of Ottawa, 161 Louis Pasteur, Ottawa, Ontario K1N 6N5, Canada.
The processes of thermoforming 2D-printed electronics into 3D structures can introduce defects that impact the electrical performance of conductors, making them more susceptible to thermal failure during high electrical power/current applications on temperature-sensitive substrates. We therefore report the use of a thin-film boron nitride nanotube (BNNT) interlayer to directly reduce heat stress on linear and serpentine metallic traces on polycarbonate substrates thermoformed to 3D spherocylindrical geometries at varying elongation percentages. We demonstrate that the BNNT interlayer helps to improve the electrical conductivity of highly elongated thermoformed 3D traces in comparison to traces on bare polycarbonate.
View Article and Find Full Text PDFJ Chem Phys
September 2025
Department of Chemistry, McGill University, Montreal, Quebec H3A 0G4, Canada.
Semiconductor quantum dots (QDs) are well known to give rise to a quantum confined structure of excitons. Because of this quantum confinement, new physics of hot exciton relaxation dynamics arises. Decades of work using transient absorption (TA) spectroscopy have yielded initial simple observations, such as estimates of the cooling rate from single pump photon energy experiments.
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