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1969 articles for “quantum mechanics/molecular mechanics (QM/MM)” (ranking capped at the first 2,000 matches — narrow the search to see the rest)
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Automating Compiler Optimization: A Machine Learning Approach
Abstract: This study reports on an ML-based approach to compiler optimization, complementing traditional optimization methods that rely strongly on hand-tuned settings. Compiler optimization plays a key role in performance-speedup and energy optimization of complex contemporary software systems. However, the traditional approach to optimizer settings involves laborious, error-prone, and scale-insensitive human-in-the-loop intervention, especially in the complex and high-demand environments in which today's computing application thrives. By integrating RL and GA, we can …
Published in Journal of Artificial Intelligence Research & Advances · Vol. 12, Issue 1, 2025 · pp. 12–16 Read article
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Enhancing Ship Roll Stabilization: Design of Active Fin Stabilizers Using Auto-Tuned PID Controllers
Abstract: The rolling motion of any type of mechanical system can be realized by the linear differential equation with some constant coefficient. In the domain of marine industries, it is observed that the stabilization of the ship’s roll motion is required due to the occurrence of the most unwanted water wave disturbances at the sea. It may cause serious types of damage to the equipment related to the ship. Active fin …
Published in Journal of Experimental & Applied Mechanics · Vol. 15, Issue 3, 2024 · pp. 18–31 Read article
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Research on Synchronous Generators AC Excitation Regulation Control System
Abstract: Based on various methods to supply excitation power to the synchronous generator it is categorized in three different types of excitation systems for synchronous motor. The first one is DC excitation system, second is AC excitation system and third one is static excitation system. The increasing size of contemporary power systems ensures system dependability and stability. A better supply of power is vital and has a big influence on improving …
Published in International Journal of Electrical Power and Machine Systems · Vol. 2, Issue 2, 2024 · pp. 10–16 Read article
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Power Quality Improvement in Grid-Connected PV Systems using TCSC
Abstract: Power quality issues such as voltage sags, swells, and harmonic distortions pose significant challenges to the stability and efficiency of grid-connected systems. This study presents a simulation and analysis of a Thyristor-Controlled Series Capacitor (TCSC) for mitigating voltage sags and swells, thereby enhancing overall power quality. A grid-connected photovoltaic (PV) system integrated with a TCSC is modelled and simulated using MATLAB/Simulink to evaluate its performance under diverse operating conditions. The …
Published in Trends in Electrical Engineering · Vol. 14, Issue 3, 2024 Read article
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The Role of Artificial Intelligence in Automating Incident Response in Cloud-Based Cybersecurity
Abstract: As cloud computing continues to gain traction across industries, the complexity and scale of cloud environments present significant challenges to traditional cybersecurity practices. The dynamic and distributed nature of cloud infrastructures necessitates agile and effective incident response mechanisms to detect, analyze, and mitigate threats in real-time. However, conventional incident response methods often fall short due to the growing sophistication of cyber threats and the vast amounts of data generated in …
Published in Journal of Operating Systems Development & Trends · Vol. 12, Issue 1, 2025 · pp. 15–24 Read article
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Na-Air Battery: The Battery of the Future—A Review
Abstract: Metal-ion batteries came into the limelight with the invention of Zn-ion battery as early as 1878, but its commercial viability came into picture in 1990 and lithium-ion cell in 1977. Since then, a number of metals have been experimented upon and similar rechargeable secondary storage batteries like Al-ion, Na-ion, Sn-ion, Mg-ion, K-ion have been developed. In this type of battery, electrochemical dynamics involves the movement of only one kind of …
Published in Journal of Alternate Energy Sources & Technologies · Vol. 15, Issue 3, 2024 · pp. 1–19 Read article
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A Review Article on Spice up the Solution of Inflammation Through Phytomedicines
Abstract: Inflammation is a complex, protective immune response essential for healing and combating infection. However, prolonged inflammation is associated with chronic diseases, such as arthritis, cardiovascular disorders, diabetes, and neurodegenerative conditions. Traditional nonsteroidal anti-inflammatory drugs (NSAIDs) and corticosteroids can exhibit adverse effects, particularly with chronic administration. This challenge has encouraged the exploration of natural alternatives. Among various natural anti-inflammatory agents, spices, such as ginger, garlic, turmeric, cardamom, and black pepper have …
Published in Emerging Trends in Metabolites · Vol. 2, Issue 1, 2025 · pp. 1–10 Read article
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A Comprehensive Review on Pharmacological Properties of Coumarins
Abstract: Coumarins are a diverse group of secondary metabolites found in a variety of plant species (over 1200 different coumarins have been identified from natural sources, especially plants), as well as in fungi and microorganisms. Coumarin is a simple, widely occurring chemical structure in nature, present in many plants, fungi, and bacteria. In recent years, these natural compounds have attracted growing interest from the scientific community due to their broad spectrum …
Published in International Journal of Biochemistry and Biomolecule Research · Vol. 2, Issue 2, 2024 · pp. 12–17 Read article
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Electronic Circuitry and Material Integration for Enhanced Gas Detection Windows
Abstract: Liquefied Petroleum Gas (LPG) and propane, being flammable mixtures of hydrocarbon gases, are widely used as fuel in various applications such as homes, hostels, and industries. Our main objective for this project is to design and fabricate a gas sensing window that will autonomously open upon detecting any leakage of gases like LPG, CO2, alcohol, propane, etc. The heart of our system is the MQ-9 gas sensor, known for its …
Published in Journal of Microelectronics and Solid State Devices · Vol. 11, Issue 3, 2024 · pp. 14–24 Read article
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Recent Advances in Content-based Image Retrieval: Techniques and Applications
Abstract: Content-based image retrieval (CBIR) plays a vital role in computer vision, driven by the increasing need for fast and accurate image retrieval across fields like healthcare, e-commerce, and digital libraries. This study offers a detailed review of CBIR methodologies, charting their progression from traditional feature extraction techniques, such as Local Binary Patterns (LBP), to contemporary deep learning-driven methods. The transformative impact of convolution neural networks (CNNs) is highlighted, emphasizing their …
Published in Journal of Computer Technology & Applications · Vol. 16, Issue 1, 2025 · pp. 67–71 Read article
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The Intersection of Bioinformatics and Cellular Function in Disease Modeling
Abstract: The integration of bioinformatics and cellular biology has revolutionized our understanding of disease mechanisms, offering unprecedented opportunities to model complex biological systems. Bioinformatics is an interdisciplinary field that merges biology, computer science, and statistics, offering advanced tools to analyze vast biological datasets. Cellular functions, including gene expression, protein interactions, and metabolic pathways, form the foundation of physiological and pathological states. Disruptions in these processes can result in diseases like cancer, …
Published in International Journal of Cell Biology and Cellular Functions · Vol. 2, Issue 2, 2024 · pp. 1–7 Read article
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New Insight into the Composition and Structure of Sizing Agent from NMR Spectroscopy
Abstract: Sized carbon fibers (CFs) are of commercial significance as they form the main load-bearing component in advanced materials, namely, carbon fiber-reinforced plastics (CFRPs). Much of the knowledge of sizing composition and the process of sizing is a subject of intellectual property rights owing to its commercial relevance. In this original research article, deeper insights into the structure and composition of the sizing agent used for the surface modification of commercial …
Published in International Journal of Photochemistry and Photochemical Research · Vol. 2, Issue 2, 2024 · pp. 06–23 Read article
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Optimization of Tensile and Flexural Properties of PETG Filament in FDM 3D Printing Using Response Surface Methodology
Abstract: Now a days manufacturing trend has been changed from subtractive to additive. In additive manufacturing (3D Printing), layer by layer deposition occurs and final product can be obtained. The main advantages of additive manufacturing is to obtain customized product, complex geometry product. This research investigates the optimization of tensile and flexural Strength of PETG filament in Fused Deposition Modeling (FDM) 3-d printing by using of Response Surface Methodology (RSM). Specimens …
Published in Journal of Polymer & Composites · Vol. 13, Issue 1, 2025 · pp. 39–58 Read article
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Comparative Study of Percentage Removal of Iron from Water Media Polluted with PMS and AGO using Different Particle Size and Mix Ratios of Adsorbent
Abstract: The need to monitor the degree of comparative study of percentage removal of iron from water media contaminated with petrol motor spirit (PMS) and diesel (AGO) by the application of molded adsorbent in solid form. The adsorbent is made of clay soil with mixed of either of the agro-based materials listed, which include plantain Ogonic Red (POR), plantain Agbagba 1 (PA1) Banana Ogoni Red (BOR) and Banana Native (BN). The …
Published in Journal of Petroleum Engineering & Technology · Vol. 14, Issue 3, 2024 · pp. 25–38 Read article
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Thin Film Coatings for Anti-Reflective and Anti-Fogging Applications in Optical Devices
Abstract: To maximize optical device lifetime and performance, thin film coatings are crucial. Coatings with anti-reflective (AR) and anti-fogging (AF) properties are important uses that improve optical systems' usability and performance. This review covers materials, deposition methods, and performance measures, providing a thorough analysis of recent developments in AR and AF thin film technologies. The study examines several techniques, such as chemical vapor deposition (CVD), sputtering, and sol-gel procedures, for producing …
Published in Journal of Thin Films, Coating Science Technology & Application · Vol. 11, Issue 2, 2024 · pp. 26–30 Read article
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Sustainable technology: Energy harvesting floors
Abstract: The development of technology, particularly in the realm of sustainable energy solutions like energy harvesting floors, is pivotal in addressing environmental challenges and advancing towards a more sustainable future. Energy harvesting floors, kinetic or piezoelectric floors, use the piezoelectric effect to convert mechanical energy from footsteps into usable electricity. These innovative floors offer advantages, including renewable energy generation, sustainability, seamless integration into existing infrastructure, minimal maintenance requirements, and increased efficiency. …
Published in Journal of Energy, Environment & Carbon Credits · Vol. 15, Issue 1, 2025 · pp. 19–29 Read article
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Vibration Analysis of Functionally Graded Piezoelectric Actuators: A Comprehensive Review
Abstract: Recent research has been concentrated on a thorough investigation of the vibration evaluation of functionally graded piezoelectric materials (FGPM), shedding light on the potential for enhancing structural optimization and controlling deflections and vibrations. Functionally graded piezoelectric material is a type of advanced composite material possessing diverse characteristics that allow for customized mechanical and electrical responses. The existing body of academic work extensively addresses the vibration analysis of functionally graded piezoelectric …
Published in Journal of Polymer & Composites · Vol. 13, Issue 1, 2025 · pp. 426–440 Read article
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Acupuncture in Pain Management: A Neurophysiological and Clinical Perspective
Abstract: Acupuncture, a key component of traditional Chinese medicine, has gained widespread recognition as an alternative therapy for pain management. This practice involves the insertion of fine needles into specific points on the body to influence the flow of energy or "Qi" (pronounced "chee") and restore balance. Mechanistically, acupuncture is believed to modulate pain through neurophysiological pathways, including the release of endorphins, the activation of the body's natural analgesic systems, and …
Published in Recent Trends in Infectious Diseases · Vol. 2, Issue 1, 2025 Read article
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A Survey of Several Machine Learning (ML) Algorithms for Security Solution in Internet of Things (IoT) Networks
Abstract: The Internet of Things (IoT) refers to the integration of physical objects with the Internet, allowing for connectivity and monitoring. This idea has garnered immense attention from researchers and users alike, driven by the widespread accessibility of the Internet. It spans a wide range of devices, including smart versions of conventional appliances, innovative tools tailored for Internet-enabled ecosystems, and sensors that leverage connectivity to revolutionize industries such as manufacturing, healthcare, …
Published in Journal of Artificial Intelligence Research & Advances · Vol. 12, Issue 1, 2025 · pp. 1–11 Read article
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Advancements in Metal-Plastic Hybrid Structures: Experimental Analysis and Design Optimization of 3D-Printed Honeycomb Frameworks
Abstract: The exploration of metal-plastic hybrid structures has gained significant attention due to their potential for lightweight, high-strength applications across industries such as aerospace, automotive, and construction. This study investigates the experimental and design enhancements of a metal-plastic hybrid structure utilizing a honeycomb architecture produced through 3D printing. By integrating metals with plastic polymers in a honeycomb configuration, this hybrid approach aims to combine the high strength and stiffness of metals …
Published in Trends in Machine design · Vol. 11, Issue 3, 2024 · pp. 36–43 Read article