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29 articles for “quantum simulation”
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Neuro-Symbolic Agentic AI for Autonomous Scientific Discovery: Integrating Deep Reinforcement Learning, Quantum Simulation, and XAI-Audited LLM Hypothesis Generation in Drug Target Identification
Abstract: The exponential growth of multi-omics data and the increasing complexity of disease-associated protein interactomes have rendered conventional drug target identification pipelines computationally and epistemologically inadequate. This paper presents the Neuro-Symbolic Agentic AI for Scientific Discovery (NS-AASD) framework, a unified architecture that cohesively integrates deep reinforcement learning (DRL) exploration strategies, variational quantum simulation (VQS) of protein conformational dynamics, and XAI-audited large language model (LLM) hypothesis generation within an autonomous scientific discovery …
Published in Research and Reviews : Journal of Computational Biology · Vol. 15, Issue 2, 2026 Read article
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State of the Art: A Pandemic Big HealthCare Analytics Solution: Image Data Classification Using Quantum MAML
Abstract: The modern age is facing many pandemic healthcare problems, e.g., covid 19, infections, inflammations, and many more, leading to critical, deadly situations. Survival rate can be increased with proper diagnosis of such data. We have proposed one of the implementations based on a medical image dataset for classification using deep reinforcement learning (RL) with quantum computing. Deep RL is the combination of DL (deep learning), generative adversarial network (GAN), and …
Published in Research and Reviews : A Journal of Medical Science and Technology · Vol. 14, Issue 2, 2024 · pp. 1–9 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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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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Microvita: A New Hybrid Particle Bridging the Fermionic and Bosonic Domains in Particle Physics
Abstract: In particle physics, the established classification of particles into fermions and bosons—obeying Fermi-Dirac and Bose-Einstein statistics, respectively—has shaped theoretical and experimental frameworks for nearly a century. This study introduces 'Microvita', a novel theoretical particle that exhibits hybrid characteristics modulated by a continuous parameter α ∈ [0,1]. Through this parameter, Microvita interpolates between bosonic and fermionic behavior in terms of spin, statistical distributions, and operator algebra. We explore the foundational algebra …
Published in Research & Reviews : Journal of Physics · Vol. 15, Issue 1, 2026 · pp. 14–27 Read article
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The Molecular Structure of Chemical Compounds by using Quantitative Calculations in Chemistry
Abstract: Computational chemistry has its roots in the early attempts of theoretical physicists, beginning in 1928, to solve the Schrödinger equation using mechanical calculating machines. These calculations verified that the solutions of the Schrödinger equation quantitatively reproduced experimentally observed properties of simple systems such as the helium atom and the hydrogen molecule. These approximate solutions of larger systems and exact solutions of simple model problems allowed chemists and physicists to provide …
Published in Journal of Catalyst & Catalysis · Vol. 12, Issue 2, 2025 · pp. 01–08 Read article
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Microvita as a Fermi-Boson Hybrid Quantum Excitation: A Statistical Pathway Toward Unified Physics, Chemistry, and Biological Organization
Abstract: This article reformulates Microvita as a hybrid quantum excitation that interpolates continuously between fermionic and bosonic statistical behavior. A generalized operator algebra, a dynamical statistical order parameter, and a Lorentz-covariant field equation are used to frame Microvita as an effective unification scheme rather than a mere philosophical construct. The formalism predicts renormalization-group flow between infrared fermionic and ultraviolet bosonic limits, while numerical profiles suggest vacuum-energy smoothing and topological-defect suppression in …
Published in Journal of Modern Chemistry & Chemical Technology · Vol. 17, Issue 1, 2026 · pp. 115–122 Read article
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Quantum Computing: A Review
Abstract: The field of quantum computing is rapidly evolving and holds the potential to fundamentally change our approach of tackling complex problems. In this research, the fundamentals of quantum computing and some possible uses for it are examined. Also, a general review of classical computing and its shortcomings in several specific problem-solving scenarios is outlined. Qubits serve as the foundational elements of quantum computing. The different kinds of quantum bits, or …
Published in Journal of Software Engineering Tools & Technology Trends · Vol. 11, Issue 1, 2024 · pp. 30–42 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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Proposed System: Quantum Computing Processor Based on Linear Number Relation
Abstract: This paper details the design and implementation of a specialized quantum processor tailored for efficiently evaluating custom mathematical formulas. Optimized to perform a specific set of arithmetic and logical operations, this processor delivers a stable and high-performance computing platform. Unlike general-purpose quantum processors, which are designed for versatility across a wide range of algorithms, this dedicated processor aims to enhance performance and accuracy for a targeted set of tasks. The …
Published in Recent Trends in Parallel Computing · Vol. 11, Issue 3, 2024 · pp. 24–32 Read article
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Simulation of Adder Circuit Using Reversible Gates in Verilog HDL
Abstract: The emerging field of quantum computing uses quantum logic gates. The reversibility of logic gates is an important aspect of quantum logic gates used in VLSI and quantum computing. Reversibility ensures that power consumption is minimized. This study explores the field of reversible logic and utilizes Peres gate to develop a full adder circuit that shows a significant reduction in power consumption in simulations performed in Xilinx Vivado. We have …
Published in Journal of VLSI Design Tools and Technology · Vol. 14, Issue 3, 2024 · pp. 32–38 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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QCA-based Implementation of Budget-friendly and Energy-Efficient Exclusive-OR/Exclusive-NOR Gates
Abstract: Quantum-dot cellular automata (QCA) is a novel nanoscale computational approach that proposes reduced dimensions, lower power consumption, increased speed, and deliberate design as a solution to the scaling challenge associated with CMOS technique. QCA is a nascent nanotechnology that utilizes the Coulomb repulsion principle. Quantum computing has emerged as a highly effective paradigm for the creation of energy-efficient hardware at the nanoscale. This article presents implementation of a very efficient …
Published in International Journal of Electro-Mechanics and Material Behaviour · Vol. 1, Issue 2, 2023 · pp. 1–6 Read article
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Computational Biomodeling: Transforming Drug Design with Advanced Simulations
Abstract: Computational biomodeling has emerged as a transformative approach in the field of drug discovery, significantly enhancing the efficiency and precision of identifying and optimizing potential drug candidates. This article explores the various computational techniques utilized in drug design, including molecular docking, molecular dynamics (MD) simulations, free energy calculations, and virtual screening, and examines how these methods collectively contribute to the drug development process. The integration of these advanced simulations allows …
Published in Research and Reviews : Journal of Computational Biology · Vol. 13, Issue 3, 2024 · pp. 24–29 Read article
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A Theoretical Model for a Fermi–Boson Hybrid Particle in Nuclear and Particle Physics
Abstract: We present a theoretical model for a Fermi–Boson Hybrid Particle (FBHP) that unifies fermionic half-integer spin matter fields with bosonic integer-spin force fields within a single quantum framework. By extending conventional quantum field theory, a hybrid creation operator is formulated that combines fermionic and bosonic operators through a continuous mixing parameter, allowing smooth interpolation between Fermi–Dirac and Bose–Einstein statistical behaviour. A generalized statistical mechanics formalism is developed, leading to quantitative …
Published in Journal of Nuclear Engineering & Technology · Vol. 16, Issue 1, 2026 · pp. 10–18 Read article
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Environmental Impact Assessment of Ocean Energy Converters Using Quantum Machine Learning
Abstract: The accelerating deployment of ocean energy converters (OECs) across tidal, wave, osmotic, and thermal domains necessitates rigorous, data-intensive environmental impact assessment (EIA) frameworks capable of modelling multi-stressor marine ecosystems in real time. Classical machine learning approaches, while operationally mature, encounter scalability bottlenecks and feature correlation limitations when applied to the high-dimensional, non-linear datasets characteristic of offshore monitoring networks. This paper presents a comprehensive quantum machine learning (QML) framework for the …
Published in Journal of Energy, Environment & Carbon Credits · Vol. 16, Issue 1, 2026 · pp. 22–31 Read article
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Machine Learning Assisted Optimization of Nanoscale MOSFET Parameters Using TCAD Simulation
Abstract: This paper presents a machine learning (ML) assisted framework for the multi-objective optimization of nanoscale bulk n-channel metal-oxide-semiconductor field-effect transistors (nMOSFETs) with a 10 nm physical gate length, high-k HfO₂ gate dielectric, and TiN metal gate. Technology computer-aided design (TCAD) simulations employing drift-diffusion transport, Shockley-Read-Hall recombination, Lombardi mobility degradation, and density- gradient quantum correction models are used to generate a parametric dataset of 2,400 device configurations spanning gate length (L), …
Published in Journal of Microelectronics and Solid State Devices · Vol. 13, Issue 1, 2026 · pp. 10–19 Read article
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Novel approaches to the Design and Optimization of Universal Shift Register with Reversible logic
Abstract: Reversible logic is gaining importance in new multi-disciplinary fields, such as quantum computing, low-power computing, and even nanotechnology. The study of reversible gates has quickly evolved as a distinctive area of research as a result of the new developments aimed at fully utilizing resources and performing operations without any loss of information. With chip integration, these USRs, or Universal Shift Registers, have now become fundamental sequential components needed in various …
Published in Journal of VLSI Design Tools and Technology · Vol. 15, Issue 3, 2025 · pp. 21–28 Read article
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Using Machine Learning to Guess Photochemical Reaction Pathways
Abstract: Photochemical reactions are crucial to many activities in the fields of energy conversion, environmental cleanup, and synthetic chemistry. However, predicting their causes and results effectively is still very hard since they entail excited electronic states, nonadiabatic transitions, and complicated potential energy surfaces. Machine learning (ML) has been a powerful technique to go along with classic quantum chemistry methods in the last few years. It offers better prediction capability and lower …
Published in International Journal of Photochemistry and Photochemical Research · Vol. 3, Issue 2, 2025 · pp. 01–12 Read article
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Quantification of Snow/Glacier Melt Impacts of Historical and Future Climate Change on Eastern Himalayan River
Abstract: Millions of the population on Eastern Himalayan Rivers (EHR) totally depend on, domestic use, agriculture, and hydropower. Several studies found that climate warming threatens this EHR's hydrological regime. In order to understand the hydrologic response of their headwaters and how climate change affects streamflow, a hydrological modeling study is conducted in the Teesta River Basin (TRB) in EHR using an open-source Quantum Geographical Information System (QGIS) with semi-distributed QSWAT1.5 (Soil …
Published in Journal of Polymer & Composites · Vol. 13, Issue 1, 2025 · pp. 508–524 Read article