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14 articles for “Multiscale modeling”
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Physics-Informed Machine Learning and Multiscale Modeling for Structure–Property Quantification of Polymer Composites
Abstract: The growing need for light-weight, high strength, and sustainable polymer composites has led to the development of smart methods that enable accurate structural-property quantification and material design. However, conventional methods have been predominantly data-based, thus ignoring physical constraints as well as multi-scale interactions involving fiber, matrix, interface, and process parameters, leading to lower accuracy and poor robustness and interpretability of the models. In this study, a Cat Swarm Optimization-Tuned Physics-Informed …
Published in Journal of Polymer & Composites · Vol. 14, Issue 4, 2026 Read article
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Role of Fluid Engineering in Biomedical and Healthcare Systems: A Comprehensive Review
Abstract: Fluid engineering — the study and application of fluid behavior, transport, and interaction — has become a cornerstone of modern biomedical and healthcare systems. This review synthesizes the multifaceted roles fluid engineering plays across diagnostics, therapeutics, biomedical devices, and physiological modeling. Micro-fluidics enables precise manipulation of microliter and nanoliter volumes, facilitating rapid point-of-care diagnostics, high-throughput screening, and the fabrication of uniform nano particles for targeted drug delivery. In cardiovascular medicine, …
Published in Trends in Mechanical Engineering & Technology · Vol. 16, Issue 1, 2026 · pp. 1–5 Read article
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Role of Quantum Chemistry in Catalysis: A Comprehensive Review
Abstract: Catalysis plays a crucial role in modern chemical manufacturing, energy conversion, and environmental protection by enabling chemical reactions to occur more rapidly, selectively, and with reduced energy consumption. A fundamental understanding of catalytic processes at the atomic and electronic levels is essential for the rational design and optimization of catalysts. Quantum chemistry has emerged as a powerful theoretical and computational framework that enables detailed investigation of electronic structure, reaction energetics, …
Published in Journal of Catalyst & Catalysis · Vol. 13, Issue 1, 2026 · pp. 01–16 Read article
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Advances in Lung Cancer Detection and Diagnosis: An Integrative Approach Using Computational Chemistry, Statistics, Bioinformatics, Artificial Intelligence, and Machine Learning
Abstract: Lung cancer is still one of the most common and lethal cancers globally, accounting for more than a million deaths each year. Prompt detection is important, and imaging techniques like chest X-rays, MRIs, PETs, CTs, and molecular imaging have become important tools. But still, even though all these techniques do not provide an accurate classification of the lesion, they have led to the development of computer-based high-resolution image analysis. Computer …
Published in Research & Reviews: A Journal of Bioinformatics · Vol. 13, Issue 2, 2026 Read article
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Multiscale Catalytic Strategies for Sustainable Chemical Production: Integrating Computational Catalysis, Process Technology and Biocatalytic Transformations
Abstract: The transition toward sustainable chemical manufacturing requires catalytic technologies capable of maximizing resource efficiency, minimizing greenhouse gas emissions, and enabling the utilization of renewable feedstocks. Recent advances in computational catalysis, process technology, and biocatalytic transformations have created opportunities for the development of integrated catalytic platforms spanning molecular, reactor, and process scales. Density functional theory (DFT), machine learning-assisted catalyst discovery, and multiscale modeling have accelerated the rational design of heterogeneous, homogeneous, …
Published in Journal of Catalyst & Catalysis · Vol. 13, Issue 2, 2026 · pp. 27–35 Read article
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A Systematic Review of Advanced Composite Materials for High-Performance Spur Gear Applications
Abstract: This is a review which provides specific and detailed information regarding the fiber-reinforced polymer (FRP) composite to replace traditional steel in high-performance spur gears with emphasis on mechanical performance, computational modeling, and experimental validation. Methods: The current literature was thoroughly investigated that includes material properties, material simulation (e.g., finite element analysis, FEA), and experimental gear testing procedures (e.g., DIN 51354, ASTM G99). Certain case studies in the aerospace and automotive …
Published in Journal of Polymer & Composites · Vol. 14, Issue 1, 2026 · pp. 209–220 Read article
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Framework-Based Optimization of Catalysis Efficiency through Reaction Pathway Engineering
Abstract: The rational design of heterogeneous catalysts through framework-based approaches has emerged as a transformative strategy for controlling reaction pathways and enhancing catalytic efficiency. This paper examines recent advances in the optimization of catalytic performance through engineered frameworks, including metal-organic frameworks (MOFs), zeolites, and related porous materials. By integrating computational methods with experimental validation, researchers have achieved unprecedented control overactive site architecture, reactant confinement, and elementary reaction steps. This work reviews …
Published in Emerging Trends in Chemical Engineering · Vol. 13, Issue 2, 2026 · pp. 88–99 Read article
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Physics-Adaptive Digital Twin with Neural-Operator Reduced-Order Modelling
Abstract: This study proposes a novel Physics-Adaptive Digital Twin with Neural-Operator Reduced-Order Modelling (PADT-NO) framework for predictive modelling of complex, nonlinear, and multiscale fluid flows. The proposed mathematical framework integrates fundamental conservation laws, Navier–Stokes dynamics, physics-constrained neural operators, adaptive reduced-order modelling, and uncertainty-aware state estimation within a unified computational architecture. Unlike conventional computational fluid dynamics and purely data-driven approaches, the proposed model dynamically couples high-fidelity physical information with a low-dimensional latent …
Published in Recent Trends in Fluid Mechanics · Vol. 13, Issue 2, 2026 · pp. 89–103 Read article
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Hybrid Quantum–Machine Learning Framework for Nonlinear Rheological Modeling of Polymer and Composite Materials
Abstract: In polymer and composite materials, a major challenge lies in predicting their nonlinear rheological response, owing to complex multiscale interactions that are not captured by traditional constitutive laws or conventional machine learning approaches. In this study, a hybrid Quantum–Machine Learning (QML) model comprising Quantum Support Vector Machine (QSVM) and Quantum Neural Network (QNN) architectures is proposed for viscosity prediction without requiring any specific rheological equation. To train and test the …
Published in Journal of Polymer & Composites · Vol. 14, Issue 5, 2026 · pp. 19–35 Read article
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Revolutionizing Vaccine Development:The Transformative Role of Bioinformatics in Designing Next-Generation Immunotherapies
Abstract: Vaccines have long been central to the prevention and control of infectious diseases, dramatically reducing morbidity and mortality worldwide. In the modern era, the integration of bioinformatics has revolutionized vaccine development by enabling rapid, precise, and cost-effective identification of potential vaccine targets. This seminar explores the multifaceted applications of bioinformatics in vaccinology, including antigen discovery, epitope prediction, structural modeling, molecular docking, and immunoinformatics-driven vaccine design. Special emphasis is placed on …
Published in Research & Reviews: A Journal of Bioinformatics · Vol. 12, Issue 3, 2025 · pp. 19–33 Read article
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Computational Modeling of Polymer Semiconductors for Electronic Applications
Abstract: Polymer semiconductors have become important materials in modern electronic applications because they combine semiconducting behavior with mechanical flexibility, low-cost processing, and tunable molecular structure. Their growing use in organic field-effect transistors, organic photovoltaics, organic light-emitting diodes, and flexible sensing devices has increased the need for accurate computational approaches that can predict material properties and device performance before experimental fabrication. This paper reviews the major computational modeling techniques used for polymer …
Published in Journal of Polymer & Composites · Vol. 14, Issue 3, 2026 · pp. 132–146 Read article
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Remote Sensing and Atmospheric Modelling: Data, Processes, Integration and Future Directions
Abstract: Atmospheric modelling plays a central role in weather forecasting, climate projection, and air quality assessment; however, the availability, accuracy, and representativeness of atmospheric observations fundamentally constrain its reliability. Over the past two decades, rapid advances in remote sensing (RS) have transformed atmospheric observation by providing spatially continuous, multiscale measurements of key atmospheric variables, including aerosols, trace gases, clouds, precipitation, and atmospheric thermodynamic profiles. This review synthesises recent progress in integrating …
Published in International Journal of Atmosphere · Vol. 3, Issue 1, 2026 · pp. 54–67 Read article
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Debris Flow Kinetics in Planetary Environments: A Systems Perspective
Abstract: Debris flow kinetics in planetary environments represent a critical intersection of geomorphology, fluid mechanics, and planetary science. These gravity-driven flow mixtures of solids, liquids, and gases play a key role in shaping planetary surfaces and recording environmental histories. This study adopts a systems perspective to analyze debris flow behavior across different planetary contexts, emphasizing the interconnected roles of material properties, energy transformations, and environmental forcing. By integrating rheological models with …
Published in International Journal of Universe · Vol. 1, Issue 2, 2025 · pp. 08–17 Read article
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ML-Based Predictive Modeling of Mechanical Properties in 3D-Printed Polymer Composites for IoT Applications
Abstract: This study aims to develop an interpretable and high-accuracy machine learning framework for predicting the mechanical properties of 3D-printed fiber-reinforced polymer composites, with a focus on structure–property correlations relevant to polymer processing and functional performance. Composite specimens based on PLA and ABS matrices were fabricated using FDM with varying weight fractions (5–20 wt%) of carbon and glass fibers. Standardized mechanical testing (ASTM D638, D256, D790) was performed to evaluate tensile …
Published in Journal of Polymer & Composites · Vol. 13, Issue 4, 2025 · pp. 61–78 Read article