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Journal of the Korean Institute of Electrical and Electronic Material Engineers

Quantum Computing Revolutionizing Materials Science: Basic Principles and Trends in Applications for Nanomaterials

Jae‐Hee Han, Joonho Bae

Published Nov 1, 2024• 0 citations
Publisher

Abstract

Quantum computing is set to transform the field of materials science, offering computational methods that could far surpass conventional approaches for tackling intricate material design challenges. This review introduces the foundational principles of rapidly growing quantum computing and its application trends in the design and analysis of nanomaterials. We explain how quantum speedup, achieved through quantum algorithms utilizing qubit superposition and entanglement, is applied to material design. Additionally, the principles and research trends of quantum variational methods, including the Variational Quantum Eigensolver (VQE), which has recently gained attention as a quantum algorithm simulation technique, will be discussed. By combining new techniques based on quantum algorithms with the quantum speed-up, the quantum computing is expected to offer new insights into data-intensive materials research and provide innovative methodologies for the development of new functional materials. With the advancement of quantum algorithms, the field of materials science could enter a new era, enabling more precise and efficient approaches in materials design and functional analysis.

DOI
10.4313/jkem.2024.37.6.3

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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.
Quantum computing (QC) presents transformative potential for solving complex scientific problems that remain intractable for classical computers. Leveraging quantum superposition, entanglement, and interference, quantum algorithms such as Shor’s factoring algorithm, Grover’s search algorithm, variational quantum eigensolvers (VQE), and quantum approximate optimization algorithms (QAOA) enable exponential or polynomial speedups for selected problem classes. This paper explores recent advancements in quantum computing algorithms, their practical implementations, and emerging applications in fields such as molecular simulations, material science, cryptography, optimization, and machine learning. We highlight the strengths and limitations of current approaches, present performance analyses through graphical comparisons, and discuss prospective directions for integrating quantum algorithms into real-world scientific workflows. Our findings demonstrate that quantum computing is gradually transitioning from theoretical frameworks to experimental platforms capable of addressing highly complex computational challenges.
Quantum computing, a revolutionary paradigm shift in computation, leverages the principles of quantum mechanics to perform tasks beyond the capabilities of classical computers. By harnessing the power of quantum bits (qubits), which can exist in superpositions of states and exhibit entanglement, quantum computers offer the potential to revolutionize fields such as chemistry, materials science, cryptography, and artificial intelligence. This paper delves into the fundamental concepts of quantum computing, including superposition, entanglement, and quantum gates. We explore the development of quantum hardware, encompassing various technologies like superconducting qubits, ion traps, and photonic qubits. Additionally, we discuss the limitations and challenges faced in building scalable and error-corrected quantum computers, such as decoherence and noise. The potential applications of quantum computing are vast and far-reaching. In the realm of quantum chemistry and materials science, quantum computers can simulate complex molecular systems, enabling the design of novel materials and drugs. In the field of cryptography, quantum computers pose a significant threat to classical cryptographic algorithms, necessitating the development of quantum-resistant cryptographic techniques. Furthermore, quantum machine learning holds the promise of accelerating AI advancements by enabling the development of powerful quantum algorithms.
Quantum computing (QC) presents transformative potential for solving complex scientific problems that remain intractable for classical computers. Leveraging quantum superposition, entanglement, and interference, quantum algorithms such as Shor’s factoring algorithm, Grover’s search algorithm, variational quantum eigensolvers (VQE), and quantum approximate optimization algorithms (QAOA) enable exponential or polynomial speedups for selected problem classes. This paper explores recent advancements in quantum computing algorithms, their practical implementations, and emerging applications in fields such as molecular simulations, material science, cryptography, optimization, and machine learning. We highlight the strengths and limitations of current approaches, present performance analyses through graphical comparisons, and discuss prospective directions for integrating quantum algorithms into real-world scientific workflows. Our findings demonstrate that quantum computing is gradually transitioning from theoretical frameworks to experimental platforms capable of addressing highly complex computational challenges.
Civil engineering problems are inherently complex and computationally intensive, often requiring advanced methods to analyze large-scale systems and nonlinear interactions. Addressing these challenges requires next-generation computing paradigms that can deliver greater speed and efficiency. Quantum computing, which exploits quantum–mechanical principles such as superposition and entanglement, offers the potential to process information in ways that far surpass classical computing, enabling faster and more accurate solutions to intricate engineering problems. This emerging technology could transform multiple areas within civil engineering—for example, materials science, project management, structural analysis, and design. Continued research and development in this direction may usher the discipline into a new era of computational innovation. Although quantum computing remains at an early stage of maturity, it has already attracted significant attention from researchers across diverse civil-engineering subfields. Fully realizing its potential will require overcoming major technical and practical challenges. This article presents an in-depth review of quantum computing applications in civil engineering, highlighting current progress, advantages, and limitations. It also outlines promising directions for future research to guide the evolution of this rapidly developing interdisciplinary field.