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We demonstrate the feasibility of quantum computing for large-scale, realistic chemical systems through the development of a new interface using a quantum circuit simulator and CP2K, a highly efficient first-principles calculation software.…

Chemical Physics · Physics 2025-06-24 Tomoya Shiota , Klaas Gunst , Toshio Mori , Toru Shiozaki , Wataru Mizukami

Quantum computers show potential for achieving computational advantage over classical computers, with many candidate applications in combinatorial optimisation. We present an application level benchmarking framework for near-term quantum…

At transitions between phases of matter, physical systems can exhibit universal behavior independent of their microscopic details. Probing such behavior in quantum many-body systems is a challenging and practically important problem that…

Neutral-atom quantum simulators offer a promising approach to the exploration of strongly interacting many-body systems, with applications spanning condensed matter, statistical mechanics, and high-energy physics. Through a combination of…

High fidelity coherent control of quantum systems is critical to building quantum devices and quantum computers. We provide a general optimal control framework for designing control sequences that account for hardware control distortions…

Quantum Physics · Physics 2015-08-26 Ian N. Hincks , Christopher Granade , Troy W. Borneman , D. G. Cory

State-of-the-art cosmological simulations on classical computers are limited by time, energy, and memory usage. Quantum computers can perform some calculations exponentially faster than classical computers, using exponentially less energy…

Cosmology and Nongalactic Astrophysics · Physics 2021-03-31 Philip Mocz , Aaron Szasz

We consider the question of how correlated the system hardness is between classical algorithms of electronic structure theory in ground state estimation and quantum algorithms. To define the system hardness for classical algorithms we…

Classical algorithms for market equilibrium computation such as proportional response dynamics face scalability issues with Internet-based applications such as auctions, recommender systems, and fair division, despite having an almost…

Quantum Physics · Physics 2026-01-06 Po-Wei Huang , Patrick Rebentrost

While the treatment of chemically relevant systems containing hundreds or even thousands of electrons remains beyond the reach of quantum devices, the development of quantum-classical hybrid algorithms to resolve electronic correlation…

Quantum mechanical problems are among the hardest to simulate and, in some cases, remain intractable even for the most powerful computers. Quantum computing has emerged as a new technological platform to address such challenges, with rapid…

Quantum Physics · Physics 2025-09-01 Alexander Miessen

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

Quantum Computing (QC) offers significant potential to enhance scientific discovery in fields such as quantum chemistry, optimization, and artificial intelligence. Yet QC faces challenges due to the noisy intermediate-scale quantum era's…

Continuous-time stochastic processes pervade everyday experience, and the simulation of models of these processes is of great utility. Classical models of systems operating in continuous-time must typically track an unbounded amount of…

Quantum Physics · Physics 2018-03-05 Thomas J. Elliott , Mile Gu

Fault-tolerant quantum computations require alternating quantum and classical computations, where the classical computations prove vital in detecting and correcting errors in the quantum computation. Recently, interest in using these…

Quantum Physics · Physics 2025-09-09 Niels M. P. Neumann

We show that certain computational algorithms can be simulated on a quantum computer with exponential efficiency and be insensitive to phase errors. Our explicit algorithm simulates accurately the classical chaotic dynamics for…

Quantum Physics · Physics 2007-05-23 B. Georgeot , D. L. Shepelyansky

Quantum chemistry provides key applications for near-term quantum computing, but these are greatly complicated by the presence of noise. In this work we present an efficient ansatz for the computation of two-electron atoms and molecules…

Quantum Physics · Physics 2020-04-23 Scott E. Smart , David A. Mazziotti

Quantum simulation is a leading candidate for demonstrating practical quantum advantage over classical computation, as it is believed to provide exponentially more compute power than any classical system. It offers new means of studying the…

Quantum Physics · Physics 2026-01-23 Maja Franz , Lukas Schmidbauer , Joshua Ammermann , Ina Schaefer , Wolfgang Mauerer

Quantum field theory (QFT) simulations are a potentially important application for noisy intermediate scale quantum (NISQ) computers. The ability of a quantum computer to emulate a QFT, therefore, constitutes a natural application-centric…

Scientific applications are starting to explore the viability of quantum computing. This exploration typically begins with quantum simulations that can run on existing classical platforms, albeit without the performance advantages of real…

Distributed, Parallel, and Cluster Computing · Computer Science 2024-08-16 Amir Shehata , Thomas Naughton , In-Saeng Suh

Quantum simulation can help us study poorly understood topics such as high-temperature superconductivity and drug design. However, existing quantum simulation algorithms for current quantum computers often have drawbacks that impede their…

Quantum Physics · Physics 2022-02-28 Kishor Bharti , Tobias Haug
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