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Establishing a predictive ab initio method for solid systems is one of the fundamental goals in condensed matter physics and computational materials science. The central challenge is how to encode a highly-complex quantum-many-body wave…

Strongly Correlated Electrons · Physics 2021-05-25 Nobuyuki Yoshioka , Wataru Mizukami , Franco Nori

Quantum computers hold promise to enable efficient simulations of the properties of molecules and materials; however, at present they only permit ab initio calculations of a few atoms, due to a limited number of qubits. In order to harness…

Materials Science · Physics 2020-07-07 He Ma , Marco Govoni , Giulia Galli

Quantum computers hold promise to improve the efficiency of quantum simulations of materials and to enable the investigation of systems and properties more complex than tractable at present on classical architectures. Here, we discuss…

Quantum Physics · Physics 2022-05-03 Christian Vorwerk , Nan Sheng , Marco Govoni , Benchen Huang , Giulia Galli

Numerical simulation of quantum systems is crucial to further our understanding of natural phenomena. Many systems of key interest and importance, in areas such as superconducting materials and quantum chemistry, are thought to be described…

Quantum Physics · Physics 2010-11-17 Katherine L Brown , William J Munro , Vivien M Kendon

Development of quantum architectures during the last decade has inspired hybrid classical-quantum algorithms in physics and quantum chemistry that promise simulations of fermionic systems beyond the capability of modern classical computers,…

Quantum Physics · Physics 2023-01-03 Frank T. Cerasoli , Kyle Sherbert , Jagoda Sławińska , Marco Buongiorno Nardelli

Quantum computers promise to revolutionize our ability to simulate molecules, and cloud-based hardware is becoming increasingly accessible to a wide body of researchers. Algorithms such as Quantum Phase Estimation and the Variational…

Quantum Physics · Physics 2021-12-21 Kyle Sherbert , Frank Cerasoli , Marco Buongiorno Nardelli

People are witnessing quantum computing revolutions nowadays. Progress in the number of qubits, coherence times and gate fidelities are happening. Although quantum error correction era has not arrived, the research and development of…

Quantum Physics · Physics 2023-10-17 Guanru Feng , Dawei Lu , Jun Li , Tao Xin , Bei Zeng

Quantum machine learning algorithms, the extensions of machine learning to quantum regimes, are believed to be more powerful as they leverage the power of quantum properties. Quantum machine learning methods have been employed to solve…

Computational Physics · Physics 2021-06-01 Shree Hari Sureshbabu , Manas Sajjan , Sangchul Oh , Sabre Kais

The development of quantum computing technologies builds on the unique features of quantum physics while borrowing familiar principles from the design of conventional devices. We introduce the fundamental concepts required for designing and…

Quasiparticle band structures are fundamental for understanding strongly correlated electron systems. While solving these structures accurately on classical computers is challenging, quantum computing offers a promising alternative.…

Quantum Physics · Physics 2025-11-10 Takahiro Ohgoe , Hokuto Iwakiri , Kazuhide Ichikawa , Sho Koh , Masaya Kohda

With the advent of near-term quantum computers, the simulation of properties of solids using quantum algorithms becomes possible. By an adequate description of the system's Hamiltonian, variational methods enable to fetch the band structure…

Quantum Physics · Physics 2023-03-07 Raphael César de Souza Pimenta , Anibal Thiago Bezerra

Quantum computing promises to revolutionize several scientific and technological domains through fundamentally new ways of processing information. Among its most compelling applications is digital quantum simulation, where quantum computers…

Quantum Physics · Physics 2026-02-05 Laurin E. Fischer

Semiconductors, a significant type of material in the information era, are becoming more and more powerful in the field of quantum information. In the last decades, semiconductor quantum computation was investigated thoroughly across the…

Mesoscale and Nanoscale Physics · Physics 2020-03-04 Xin Zhang , Hai-Ou Li , Gang Cao , Ming Xiao , Guang-Can Guo , Guo-Ping Guo

The difficulty of simulating quantum systems, well-known to quantum chemists, prompted the idea of quantum computation. One can avoid the steep scaling associated with the exact simulation of increasingly large quantum systems on…

This chapter provides a tutorial overview of first principles methods to describe the properties of matter at the ground state or equilibrium. It begins with a brief introduction to quantum and statistical mechanics for predicting the…

Computational Engineering, Finance, and Science · Computer Science 2020-10-14 Jianzhong Wu , Mengyang Gu

Recently developed quantum algorithms suggest that quantum computers can solve certain problems and perform certain tasks more efficiently than conventional computers. Among other reasons, this is due to the possibility of creating…

Quantum Physics · Physics 2007-05-23 Rolando D. Somma

Quantum computation is a rapidly progressing field today. What are its principles? In what sense is it distinct from conventional computation? What are its advantages and disadvantages? What type of problems can it address? How practical is…

Quantum Physics · Physics 2007-05-23 Apoorva Patel

Quantum computation offers a promising new kind of information processing, where the non-classical features of quantum mechanics can be harnessed and exploited. A number of models of quantum computation exist, including the now well-studied…

Quantum Physics · Physics 2011-08-03 H. J. Briegel , D. E. Browne , W. Dür , R. Raussendorf , M. Van den Nest

The first prototypes of quantum computers sparked interest in quantum computing and the basic principles of quantum mechanics. The education project on the physical bases of quantum computing is part of this context, based on the…

Quantum Physics · Physics 2022-09-08 Francesco Sisini , Igor Ciminelli , Fabio Antonio Bovino

Future quantum computers are anticipated to be able to perform simulations of quantum many-body systems and quantum field theories that lie beyond the capabilities of classical computation. This will lead to new insights and predictions for…

Nuclear Theory · Physics 2023-12-14 Martin J. Savage
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