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De Gruyter eBooks

Chapter 15 Quantum computing in drug and chemical

Bijeta Seth, Surjeet Dalal, Umesh Kumar Lilhore

Published Dec 16, 2024• 0 citations
Publisher

Abstract

Quantum computing, which combines physics, software engineering, and mathematics, has the potential to change many industries with its unrivaled processing capacity. This article covers quantum computing’s fundamentals, recent advances, future applications, and challenges. We research the fundamental quantum physics principles of quantum computing. We study quantum gates, entanglement, and superposition. Next, we examine quantum computer applications employing qubits and quantum circuits. Several qubit-making physical systems will also be examined. We also examine the rapidly changing environment of various quantum algorithms, such as Grover’s unstructured search and Shor’s integer factorization approaches, and their effects on machine learning, optimization, and cryptography. We also thoroughly study quantum error correction and fault-tolerance advances that mitigate decoherence and noise in quantum systems. We also investigate the fast-growing field of quantum software development, including programming languages, simulators, and compilers. We conclude by assessing the barriers to scaling up and implementing quantum computers. Error rates, qubit coherence duration, and scalable quantum hardware architectures are these challenges. This study tries to understand quantum computing’s complex field, revealing its transformative potential and guiding future research.

DOI
10.1515/9783111354842-015

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Quantum computing, which combines physics, software engineering, and mathematics, has the potential to change many industries with its unrivaled processing capacity. This article covers quantum computing’s fundamentals, recent advances, future applications, and challenges. We research the fundamental quantum physics principles of quantum computing. We study quantum gates, entanglement, and superposition. Next, we examine quantum computer applications employing qubits and quantum circuits. Several qubit-making physical systems will also be examined. We also examine the rapidly changing environment of various quantum algorithms, such as Grover’s unstructured search and Shor’s integer factorization approaches, and their effects on machine learning, optimization, and cryptography. We also thoroughly study quantum error correction and fault-tolerance advances that mitigate decoherence and noise in quantum systems. We also investigate the fast-growing field of quantum software development, including programming languages, simulators, and compilers. We conclude by assessing the barriers to scaling up and implementing quantum computers. Error rates, qubit coherence duration, and scalable quantum hardware architectures are these challenges. This study tries to understand quantum computing’s complex field, revealing its transformative potential and guiding future research.
Quantum computing leverages quantum mechanical concepts, including superposition, entanglement, and interference, to solve problems that traditional computers cannot handle efficiently. This study presents a comprehensive overview of the field, covering both the theoretical foundations and the latest developments in quantum hardware and algorithms. This study covers fundamental elements, qubits, gates, and circuits while emphasizing quantum parallelism as a distinctive feature. To illustrate efficiency gains, we explore notable algorithms like Shor’s factorization procedure and Grover’s search algorithm. Furthermore, we analyze recent advancements in quantum hardware, focusing on superconducting qubits, trapped ions, and photonic quantum computers, with an emphasis on implementations by IBM, Google, and other industry leaders. The discussion also addresses major challenges such as decoherence, noise, and the need for quantum error correction to achieve fault tolerance. Finally, we explore emerging applications in cryptography, optimization, quantum machine learning, and material simulation, and identify critical open problems that must be addressed to realize scalable, universal quantum computing. Our review underscores the transformative potential of quantum technologies across science and industry.
Quantum computing represents a transformative paradigm that exploits the principles of quantum mechanics—superposition, entanglement, and quantum interference—to perform computations beyond the capabilities of classical computers. This review presents a comprehensive overview of the fundamental concepts underlying quantum computation, including qubits, quantum gates, quantum algorithms and measurement theory. It further examines major physical implementations of quantum computers, such as superconducting circuits, trapped ions, photonic systems, spin-based qubits, and topological approaches, highlighting their operational principles, advantages, and technological limitations. Key challenges hindering large-scale quantum computation—decoherence, error rates, qubit scalability, and fault tolerance—are critically discussed. Additionally, recent progress in quantum error correction, hybrid quantum–classical algorithms, and hardware optimization is summarized. The review concludes by outlining future research directions and potential applications of quantum computing in cryptography, materials science, optimization, and drug discovery. By integrating theoretical foundations with experimental advancements, this article aims to provide a clear and accessible reference for students, researchers, and scientists entering the rapidly evolving field of quantum computing.
Quantum computing is an emerging form of computing that uses the rules of quantum physics to process information in ways that are far different from how computers do it now. Quantum computing uses quantum bits, or qubits, which can exist in superpositions of states and get entangled with each other, which is different from classical computing, which uses a bit that represents binary values (0 or 1). These characteristics allow quantum devices to execute parallel computations, enabling significant speedups for specific categories of problems considered intractable for classical machines. This chapter gives a thorough introduction to quantum computing, starting with a historical overview of its foundations in quantum physics and significant theoretical advancements. It analyzes fundamental ideas including superposition, entanglement, quantum interference, and the no-cloning theorem, explaining how these elements distinguish quantum computation from traditional approaches. The advancement of quantum hardware is examined through several architectures, trapped ions, superconducting circuits, photonics, and topological qubits, together with software frameworks like Qiskit, Cirq, and PennyLane, which support algorithm development and simulation. The chapter examines fundamental quantum algorithms, such as Grover’s algorithm for database search, Shor’s algorithm for integer factorization, and hybrid variational methods designed for noisy intermediate-scale quantum devices. The practical applications in domains including as encryption, optimization, machine learning, chemistry, and finance emphasize the real-world significance of quantum technology. Challenges like decoherence, noise, scalability, and algorithmic maturity are rigorously analyzed, followed by an anticipated discourse on future trajectories including fault-tolerant architectures, quantum networking, and the development of quantum cloud services. This chapter presents a fundamental introduction for students, researchers, and practitioners seeking to comprehend the essential principles, functionalities, and possibilities of quantum computing in the post–Moore’s law period.
Quantum Computing represents a paradigm shift in computation, leveraging the principles of quantum mechanics to solve problems intractable for classical computers. This book provides a comprehensive exploration of quantum computing, encompassing its foundational concepts, architecture, algorithms, programming techniques, and real-world applications. Beginning with an overview and historical evolution, it delves into the fundamental differences between classical and quantum computing, highlighting key quantum mechanical phenomena such as superposition, entanglement, and interference. The book further examines quantum states, qubits, and gates, elucidating their roles in quantum computation. The architecture of quantum systems, including superconducting qubits, trapped ions, and photonic qubits, is analyzed alongside quantum circuits, hardware challenges, and error correction mechanisms. Core quantum algorithms, including Shor’s algorithm for factorization and Grover’s algorithm for search, are discussed with practical examples. The book also emphasizes quantum programming, featuring tools like Qiskit, Cirq, and PyQuil, and explores challenges in quantum simulation and circuit development. Applications in cryptography, artificial intelligence, drug discovery, and optimization are detailed, underscoring quantum computing’s transformative potential. The book concludes with an examination of challenges such as scalability, noise, and ethical concerns, while providing insights into future directions, including hardware advancements, emerging algorithms, and integration with classical systems. It serves as an essential resource for students, researchers, and professionals aiming to understand and contribute to the quantum revolution. Keywords: Quantum computing, classical computing, quantum mechanics, qubits, quantum gates, superposition, entanglement, quantum algorithms, Shor’s algorithm, Grover’s algorithm, quantum programming, Qiskit, Cirq, quantum circuits, quantum hardware, error correction, cryptography, artificial intelligence, drug discovery, optimization, scalability, quantum noise, ethical implications, future directions
Quantum Computing: Principles, Algorithms, Technologies and Applications provides a comprehensive introduction to the rapidly developing field of quantum computing. The book explains the fundamental principles of quantum information and connects quantum theory with algorithms, hardware, programming, security, and real-world applications. Beginning with the fundamentals of qubits, superposition, measurement, interference, and entanglement, the book gradually introduces the mathematical concepts required to understand quantum computation. It covers quantum gates and circuits, major quantum algorithms such as Grover’s algorithm, Quantum Fourier Transform, Quantum Phase Estimation, and Shor’s algorithm, along with their computational significance. The book also explores modern quantum computing technologies, including superconducting qubits, trapped ions, photonic systems, neutral atoms, semiconductor spin qubits, and quantum annealing. Readers are introduced to quantum programming and software concepts, quantum simulators, circuit compilation, hybrid quantum-classical computing, and practical quantum development workflows. A dedicated discussion of quantum error correction, fault-tolerant computing, quantum cryptography, quantum key distribution, and post-quantum cryptography explains how quantum technologies influence cybersecurity and secure communication. The book further examines applications of quantum computing in optimization, artificial intelligence, chemistry, drug discovery, finance, materials science, and other emerging areas. Designed for students, researchers, educators, engineers, and technology enthusiasts, this book provides a structured foundation for understanding both the theoretical principles and practical technologies of quantum computing. It also discusses current challenges, scalability, quantum advantage, and future directions toward fault-tolerant and large-scale quantum computing.
Quantum computing, built on the principles of quantum mechanics, has emerged as a transformative paradigm with the potential to revolutionize computational capabilities, enabling solutions to problems that are currently intractable for classical systems. Quantum computing integrates hardware, architectures, and software for improved applications while utilizing superposition, entanglement, and interference to promote materials science, cryptography, optimization, and artificial intelligence. Sections introduce and describe the model components needed in order to create quantum processors, including qubits, quantum gates and control electronics, as well as a review of new developments in quantum software frameworks and programming tools. Notable examples, such as Shor’s algorithm for cryptographic caveat, Grover’s algorithm for inefficient search processes, and quantum-enhanced optimization, illuminate the position of quantum computing as a means of tackling tough problems that span disciplines, such as pharmaceuticals, predictors of climate, and finance modeling. However, the field continues to face significant challenges, like limited scalability, quantum gate error rates, qubit coherence times, and difficulties integrating with classical systems. Future efforts will focus on developing hybrid quantum-classical systems, scalable architectures, and industry- specific applications to transition quantum computing from exploration to practical deployment. This review provides a comprehensive analysis of quantum computing, covering its potential, trends, and challenges, while exploring hardware-software integration, classicalquantum comparisons, and insights to guide research and industry in unlocking its revolutionary possibility.