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34 articles for “computational materials science”
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Revolutionizing Low Carbon Concrete: Innovations at the Nexus of Computational Science, Data Analytics, and Sustainable Technologies
Abstract: Concrete production accounts for 7% of global CO2 emissions necessitating low carbon innovations to curb exponential demand threatening climate commitments. This research reviews sustainable construction literature integrating computational simulations, big data infrastructure monitoring and alternative process redesign. Analysis reveals 30-50% reductions achievable through combined use of industrial ecologies, smarter sensing coordinated with ML optimization and novel binders like alkali-activated geopolymers. Rigorous LCA quantification verifies environmental superiority over conventional formulations. Case …
Published in Journal of Construction Engineering, Technology & Management · Vol. 13, Issue 3, 2023 · pp. 16–23 Read article
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Role of Artificial Intelligence in Quantum Materials Research
Abstract: Quantum materials have emerged as a transformative class of advanced materials due to their extraordinary electronic, magnetic, optical, and topological properties governed by quantum mechanical phenomena. These materials are expected to revolutionize next-generation technologies such as quantum computing, spintronics, superconducting electronics, nanoelectronics, intelligent sensing systems, and energy-efficient devices. However, conventional methods for discovering and optimizing quantum materials are often expensive, time-consuming, and computationally intensive because of the enormous complexity of …
Published in Journal of Materials & Metallurgical Engineering · Vol. 16, Issue 2, 2026 · pp. 13–27 Read article
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Nanomaterials and Their Effects on the Environment: Analyzing Widespread Use
Abstract: Due to the need and uses of nanoparticles in a wide variety of fields of human activity, including industry, agriculture, commerce, medical, and public health, there has been a significant uptick in interest in nanotechnology among the general populace. Because of the inevitability of environmental exposure to nanomaterials as a consequence of their increasing incorporation into our everyday lives, more and more focus is being placed on the study of …
Published in Journal of Polymer & Composites · Vol. 11, Issue 1, 2023 · pp. 97–103 Read article
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Crystalline Materials: From Crystal Growth and Defect Engineering to Advanced Functional Applications
Abstract: Crystalline materials form the foundation of numerous modern technologies owing to their highly ordered atomic structures and exceptional physical, chemical, electrical, optical, and mechanical properties. Their periodic crystal lattices provide superior structural stability and enable precise control of electronic, thermal, and optical behavior, making them indispensable in microelectronics, photonics, energy storage, catalysis, aerospace, environmental remediation, and biomedical engineering. Rapid advances in crystal growth techniques, nanotechnology, and computational materials science have …
Published in International Journal of Crystalline Materials · Vol. 3, Issue 2, 2026 · pp. 23–31 Read article
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Integrative Machine Learning Approaches for Predicting the Rheological Behaviour of Soft Magnetorheological Elastomers
Abstract: Magnetorheological Elastomers (MREs) are advanced composite materials known for their ability to alter mechanical properties under external magnetic fields, making them highly valuable in adaptive damping systems, vibration control, and smart devices. The accurate prediction of rheological behavior in soft MREs remains a significant challenge due to the complex interplay between material composition and magnetic fields. To address this challenge, this study employs a multi-pronged approach that integrates traditional material …
Published in Journal of Polymer & Composites · Vol. 13, Issue 1, 2025 · pp. 1083–1096 Read article
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Integrated Frameworks for Artifical Intelligence in Radioactive Waste Characterization and Nuclear Lifecycle Safety
Abstract: The management and characterization of radioactive waste represent a pivotal challenge for the global energy sector, requiring the convergence of advanced physics, material science, and computational intelligence. As the nuclear industry undergoes a paradigm shift toward decommissioning legacy facilities and establishing deep geological repositories, the limitations of traditional, manually-intensive waste management processes have become increasingly apparent. Rigid separation from the biosphere is required for radioactive waste, which is defined by …
Published in Journal of Nuclear Engineering & Technology · Vol. 16, Issue 2, 2026 Read article
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Density Functional Theory (DFT): Understanding and Quantifying Molecular Structure of 2-D Materials
Abstract: Density Functional Theory (DFT) has emerged as a cornerstone in computational chemistry and materials science, offering a powerful framework for predicting electronic structures and properties of atoms, molecules, and solids. By focusing on electron density rather than wave functions, DFT simplifies the many-body problem through approximations like the local density approximation (LDA) and generalized-gradient approximations (GGAs). The Hohenberg-Kohn theorems establish the theoretical foundation, proving that ground-state properties are uniquely determined …
Published in Journal of Microelectronics and Solid State Devices · Vol. 12, Issue 2, 2025 · pp. 33–40 Read article
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Advanced Computational Models for Predicting Molecular Interactions
Abstract: Understanding molecular interactions is essential for a number of disciplines, including biochemistry, materials science, and medication development. Traditional experimental methods, while accurate, are often time-consuming and expensive. Advanced computational models have emerged as powerful tools to predict molecular interactions efficiently. In order to predict the behavior and interactions of molecules at the atomic and subatomic levels, this paper reviews the most recent developments in computational techniques, such as machine learning …
Published in International Journal of Advance in Molecular Engineering · Vol. 2, Issue 1, 2024 · pp. 8–13 Read article
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The Next Era of Solid-State Innovation: Beyond Silicon
Abstract: The semiconductor industry is getting close to the physical and economic boundaries of silicon-based technology. A new era of solid-state innovation is beginning. Beyond Silicon: The Next Era of Solid-State Innovation looks at the materials, device layouts, and manufacturing methods that are about to change the way electronics and energy work. The article talks about improvements in wide- and ultra-wide-bandgap semiconductors, two- dimensional materials, and quantum and neuromorphic systems that …
Published in International Journal of Solid State Innovations & Research · Vol. 3, Issue 2, 2025 · pp. 19–23 Read article
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Advancements in Molecular Engineering: Innovations at the Nexus of Chemistry and Technology
Abstract: Molecular engineering, a frontier of chemistry, merges precision and innovation to design and assemble molecular structures with unprecedented control. This abstract explores recent advances, highlighting key breakthroughs and their transformative impacts. Starting with its roots in chemical synthesis and materials science, it traces the evolution towards rational design driven by computational tools and advanced characterization techniques, enabling tailored molecular architectures. A focal point is programmable molecules, where DNA nanotechnology principles …
Published in International Journal of Advance in Molecular Engineering · Vol. 1, Issue 2, 2023 · pp. 37–43 Read article
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Topology and Geometry in Data Science: Persistent Homology and Beyond
Abstract: In recent years, the interplay between topology, geometry, and data science has gained substantial momentum, offering powerful frameworks to analyze and interpret complex datasets. Traditional statistical and machine learning methods often rely on linear or metric- based assumptions, which may fail to capture the intrinsic structure of high-dimensional or nonlinear data. In contrast, topological and geometric methods provide shape-oriented, scale- invariant tools that focus on the continuity, connectivity, and global …
Published in Recent Trends in Mathematics · Vol. 1, Issue 2, 2024 · pp. 21–27 Read article
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Role of Artificial Intelligence in Structural Health Monitoring-A Brief Evaluation
Abstract: Artificial intelligence (AI) refers to the capacity of a machine or a computer to ‘think’ or reason in the way a human would, utilizing experience, learned facts, and flexible rules to solve problems that may not fit the standard outlines for a normal algorithm. From this follows the utilization of AI in various sectors, such as the information technology (IT) industry, media, healthcare and medicine, logistics, environmental sustainability, finance, business, …
Published in Journal of Structural Engineering and Management · Vol. 13, Issue 1, 2026 · pp. 34–39 Read article
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Enhancing Computer Science Education through Visualization and Engagement
Abstract: The topic of visualization and engagement in computer science. This research paper attracts attention to computer science education. Computer science education is considered a very difficult course by many computer science students. But given that computer education is such an important science, this paper explores the significance of visualization techniques and engagement strategies in computer science education. Computer science education helps us understand dynamic processes such as the working of …
Published in Journal of Computer Technology & Applications · Vol. 16, Issue 3, 2025 Read article
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Computational Study of Sombor Index on Generalized Abid–Waheed Graphs for Polymer Modeling
Abstract: This study investigates the topological properties of generalized Abid Waheed graphs. Development of theoretical models in chemistry, reducing computational complexity while analysing large molecules or networks Abid Waheed graphs play a significant role. Motivated by these findings, the research was extended to encompass generalized Abid Waheed graphs, characterized by r cycles of order s. A notable similarity between Abid Waheed graphs and Jahangir graphs was observed. The potential applications of …
Published in Journal of Polymer & Composites · Vol. 13, Issue 5, 2025 · pp. 267–274 Read article
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Contribution Of Indian Historical Technology To Development The AI
Abstract: The Indus Valley Civilization (3300–1300 BCE) was among the first in the world to develop advanced metallurgy. They created bronze tools, copper vessels, and intricate metal ornaments. A testament to ancient Indian metallurgy, this rust-resistant iron pillar, built during the Gupta Empire, still stands without significant corrosion, demonstrating an advanced understanding of material science. The study examines key texts and technologies, including Panini’s Ashtadhyayi (a formal system of grammar resembling …
Published in OmniScience: A Multi-disciplinary Journal · Vol. 15, Issue 3, 2025 Read article
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Revolutionizing Form and Function: Exploring 4D Printing as a Novel Manufacturing Approach for Complex Generative Structures and Customized Formworks
Abstract: This research delves into the transformative potential of 4D printing manufacturing technology, focusing on its innovative application in fabricating intricate generative and computational structures for adaptable formwork in both individualized and mass-customized scenarios. Spanning the interdisciplinary realms of digital design, digital fabrication, and material science, the study comprehensively explores the integration of these diverse fields. Utilizing generative algorithms and parametric design tools, the research employs simulations to realize complex patterns …
Published in International Journal of Manufacturing and Production Engineering · Vol. 1, Issue 2, 2023 · pp. 41–50 Read article
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The Tech That Makes Space Travel Possible: From Earth to Orbit
Abstract: Space flight was once only a dream, but it has now become one of the most important achievements of modern science and engineering. This article looks at the technology that make it possible to travel from Earth to orbit, with a focus on the complex systems that make space missions safe, efficient, and repeatable. It looks at how rocket propulsion has changed throughout time, from classic chemical engines to new …
Published in Research & Reviews : Journal of Space Science & Technology · Vol. 15, Issue 1, 2026 · pp. 26–33 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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Advancements in Humanoid Robot Locomotion: A Review of Control Strategies and Kinematic Models
Abstract: Humanoid robot locomotion has significantly improved over the past few decades, driven by improvements in control strategies and kinematic models. Researchers aim to develop robots that can walk, run, and navigate complex terrains with efficiency and stability. This review explores recent developments in humanoid locomotion, highlighting control strategies such as model predictive control, reinforcement learning, and central pattern generators. Additionally, it examines kinematic models, including inverted pendulum models and zero …
Published in International Journal of Robotics and Automation in Mechanics · Vol. 3, Issue 1, 2025 · pp. 24–30 Read article
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Modern Physics Approaches to Light-Matter Interaction
Abstract: Light-matter interaction is crucial to numerous fundamental and applied phenomena in contemporary physics, encompassing quantum optics and materials science. This study examines modern methods for comprehending and controlling the interaction between electromagnetic radiation and matter, focusing on both theoretical frameworks and experimental progress. The interaction between light and matter is a fundamental aspect of contemporary physics, forming the basis for phenomena that include the essential principles of vision and photosynthesis, …
Published in Research & Reviews : Journal of Physics · Vol. 14, Issue 3, 2025 · pp. 10–19 Read article