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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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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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Quantum-Inspired Neural Networks: Accelerating AI for Large-Scale Data Processing
Abstract: Recently, the world of artificial intelligence has been buzzing with exciting ideas inspired by quantum computing, especially when it comes to processing large amounts of data. Introducing the Quantum-Inspired Neural Network (QINN), a novel approach to conventional neural networks that blends concepts from quantum mechanics with machine learning techniques. Unlike typical networks that rely on neurons, QINNs utilize qubit-based representations, enabling them to perform computations in a more flexible and …
Published in Journal of Software Engineering Tools & Technology Trends · Vol. 12, Issue 3, 2025 · pp. 12–17 Read article
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Enhancing Security in Unified Software Architecture for Smart Computing IoT Devices via Mobile App Authentication Using Quantum-Based Encryption
Abstract: Security remains a critical concern in the landscape of smart computing for IoT devices, necessitating robust measures to safeguard sensitive data and user privacy. In this context, the utilization of quantum-based encryption presents a promising avenue to enhance security in unified software architecture. This study proposes a model aimed at fortifying the security of IoT devices by integrating mobile app authentication with quantum-based encryption techniques. The model leverages Quantum Key …
Published in Recent Trends in Parallel Computing · Vol. 12, Issue 3, 2025 · pp. 41–48 Read article
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Quantum Mechanics: Revolutionizing Pharmaceutical Sciences
Abstract: Quantum physics and pharmacy have generally been regarded as distinct areas—one investigates the microlevel behavior of non-living matter while the other concentrates on intricate biological systems. Nevertheless, progress in life sciences has increasingly depended on molecular-level insights, whereas quantum physics has advanced beyond basic principles to impact real-world uses. This intersection provides new opportunities for, pharmacy. Quantum entanglement, which allows for instantaneous relationships between particles, can be utilized for secure …
Published in Research & Reviews: A Journal of Drug Formulation, Development and Production · Vol. 12, Issue 1, 2025 · pp. 72–77 Read article
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Entangled Shields: Securing Digital Systems in the Quantum Cryptographic Revolution
Abstract: Quantum computing utilizing principles of superposition and entanglement is poised to revolutionize the computational landscape, presenting unprecedented challenges and opportunities across various disciplines. Among these, cryptography stands at the forefront due to its reliance on computational hardness assumptions, which Quantum algorithms, such as Grover’s and Shor’s, can efficiently exploit. This study explores theoretical foundations and practical applications of quantum-safe cryptographic primitives, such as lattice-based cryptography, hash-based signature schemes, code-based systems, …
Published in Recent Trends in Parallel Computing · Vol. 12, Issue 2, 2025 · pp. 33–43 Read article
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Conductive Polymers for Electro-Mechanical Systems: Structure–Property Relationships and Mechanical Behavior Under Stress
Abstract: Conductive polymers represent a unique class of functional materials that combine the electrical characteristics of metals with the mechanical flexibility of polymers. These dual properties are critical for the next generation of electro-mechanical systems, including wearable sensors, soft robotics, structural health monitoring (SHM), and biomedical actuators. However, the mechanical performance of conductive polymers under diverse stress conditions—such as elongation, cyclic loading, bending, and impact—remains a key challenge, limiting their long-term …
Published in International Journal of Electro-Mechanics and Material Behaviour · Vol. 3, Issue 1, 2025 · pp. 25–30 Read article
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Hybrid Quantum-Classical Reinforcement Learning Enabled Thermal-Aware Electronic Design Automation Framework for Energy-Efficient Next-Generation VLSI Systems Applications
Abstract: Modern Very Large-Scale Integration (VLSI) systems are becoming more complicated, which has increased need for sophisticated Electronic Design Automation (EDA) frameworks that can concurrently optimise thermal behaviour, power consumption, and performance. This study proposes a Hybrid Quantum-Classical Reinforcement Learning (HQCRL) Enabled Thermal-Aware EDA Framework for next-generation energy- efficient VLSI systems. The proposed framework integrates quantum-inspired optimization techniques with classical reinforcement learning algorithms to address the challenges of placement, routing, and …
Published in Journal of Electronic Design Technology · Vol. 17, Issue 2, 2026 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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An Investigative Study of Quantum-safe Secure Multi-party Computation
Abstract: This article represents the comprehensive investigation in the emerging field of quantum-safe secure multi-party computation (QSSMPC) and presents novel perspectives to address the impending threat posed by quantum computers to classical cryptographic systems. As the era of quantum computing approaches, traditional encryption methods become vulnerable to quantum algorithms, necessitating the development of quantum-resistant cryptographic protocols. In this context, the paper introduces innovative approaches to secure multi-party computation in a quantum-safe …
Published in International Journal of Computer Science Languages · Vol. 2, Issue 1, 2024 · pp. 39–44 Read article
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Quantum Error Correction on Cryptography
Abstract: This article introduces novel concepts in quantum error correction and cryptography. It explores “approximate quantum error correction” (AQEC), which relaxes the requirement for perfect error correction in quantum systems. AQEC specializes in creating codes tailored to specific types of noise models. The study establishes a universal, near-optimal recovery map for AQEC, simplifying the identification of effective approximate codes. In the realm of noisy-storage cryptography, the research envisions secure two-party cryptographic …
Published in Journal of Computer Technology & Applications · Vol. 15, Issue 1, 2024 · pp. 18–23 Read article
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Quantum-Fuzzy Tensor Operators for Multi-Qubit Conjunction, Disjunction, and Symmetry-Preserving State Discrimination
Abstract: The integration of fuzzy logic and quantum information theory raises a fundamental mathematical question: how can degrees of truth be encoded in multi-qubit amplitudes while preserving the unitary dynamics and symmetry structure of quantum state spaces? This paper develops a tensor-operator framework for implementing quantum-fuzzy logical operations on finite qubit registers. Fuzzy truth values are represented by normalized quantum amplitude pairs, enabling logical information to be embedded directly into quantum …
Published in Emerging Trends in Symmetry · Vol. 2, Issue 1, 2026 · pp. 16–21 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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A Comprehensive Study of Quantum Cryptography
Abstract: Quantum cryptography has emerged as one of the most promising fields in modern information security, offering innovative solutions that have the potential to transform the future of global cyber-defense. Unlike classical cryptographic systems, which depend primarily on the computational difficulty of solving complex mathematical problems, quantum cryptography is grounded in the fundamental and unbreakable laws of quantum mechanics. Core principles such as superposition, entanglement, and the uncertainty principle form the …
Published in Journal of Advanced Database Management & Systems · Vol. 12, Issue 3, 2025 · pp. 12–26 Read article
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Differential Equations in Quantum Mechanics and Schrödinger Equation
Abstract: In this study we investigate how differential equations play a role in quantum mechanics, focusing mainly on the role of a prominent one, Schrödinger's equation, which governs the behavior of quantum systems. In time two the mathematical picture of the wave nature of particles at quantum scales is provided, and the resulting equations are Schrödinger's equation, both in its time dependent as well as in its time independent form. The …
Published in Emerging Trends in Symmetry · Vol. 1, Issue 1, 2025 · pp. 15–25 Read article
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Quasar: Quantum-Accelerated Sustainable Anomaly Recognition in Climate Systems
Abstract: Accurate detection of climate anomalies is vital for disaster alleviation and policy making in a sustainable manner, but customary detection methods face the challenges of computational inefficiency and physical inconsistency. In this study, we propose a novel approach called Quantum-Optimized Fuzzy Physics-Informed Neural Networks (QFuzzy-PINNs), which integrates quantum computing, fuzzy logic, and physics-informed deep learning. As a first step, we employ quantum annealing for conventional optimization to adjust multiple Gaussian …
Published in International Journal of Climate Conditions · Vol. 2, Issue 2, 2025 · pp. 18–27 Read article
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Comprehending Ancient Wisdom of Ayurveda: Unveiling Phytochemistry and Molecular Mechanisms of Rasayana Medicine
Abstract: Rasayana medicine is an integral part of ancient medical system of India. In Sanskrit ‘rasayana’ refers to “path of essence” and serves as one of the eight clinical specialties of classical Ayurveda. Rasayana focuses on restoring health by replenishing vital fluids of human body. According to Ayurveda, our physical body constitutes of seven dhatus called ‘Sapthdhatu’, sapth-seven and dhatu-tissues or microchannels. These channels are the pathway through which vital nutrients …
Published in Journal of AYUSH: Ayurveda, Yoga, Unani, Siddha and Homeopathy · Vol. 14, Issue 3, 2025 · pp. 59–67 Read article
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Advancements, Hurdles, and Applications in Quantum Computing
Abstract: Using the ideas of quantum mechanics, quantum computing has become a paradigm shift in computing, enabling computations to be completed tenfold quicker than with traditional computers. This study investigates the current status of quantum computing, looking at the notable advancements, ongoing difficulties, and potential uses that could completely change a range of industries. By utilizing the principles of superposition and entanglement, quantum computers can potentially solve complex problems that classical …
Published in Recent Trends in Parallel Computing · Vol. 11, Issue 2, 2024 · pp. 11–29 Read article
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AI-Based Preventive Healthcare Using Quantum Computing
Abstract: With its improved performance and capabilities, quantum machine learning (QML) is becoming a promising field, especially in the healthcare industry for tasks like early heart disease prediction. In this work, a Quantum Support Vector Classifier (QSVC) is proposed as the basic classifier for a bagging ensemble learning model. Shapley Additive explanations (SHAP) are used to evaluate the significance of each attribute in the predictions in order to improve explainability. Using …
Published in Journal of Nanoscience, NanoEngineering & Applications · Vol. 15, Issue 2, 2025 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 …
Published in Journal of Polymer & Composites · Vol. 14, Issue 5, 2026 Read article
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Complex Space-Time and the Structure of Relativistic Quantum Theory
Abstract: Relativistic quantum mechanics was developed to reconcile the principles of quantum mechanics with Einstein’s theory of relativity. Despite its success in describing high-energy particles, the theory continues to face unresolved conceptual and mathematical difficulties, particularly in relation to the nature of time, causality, and relativistic consistency. In recent years, the idea of extending space-time into the complex domain has emerged as a useful and potentially meaningful approach to these problems. …
Published in Recent Trends in Mathematics · Vol. 3, Issue 1, 2026 · pp. 22–27 Read article