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Optimally-shaped electromagnetic fields have the capacity to coherently control the dynamics of quantum systems and thus offer a promising means for controlling molecular transformations relevant to chemical, biological, and materials…

Quantum Physics · Physics 2021-06-08 Alicia B. Magann , Matthew D. Grace , Herschel A. Rabitz , Mohan Sarovar

Many methods solve Poisson equations by using grid techniques which discretize the problem in each dimension. Most of these algorithms are subject to the curse of dimensionality, so that they need exponential runtime. In the paper "Quantum…

Emerging Technologies · Computer Science 2020-06-17 Michael Holzmann , Harald Koestler

The most advanced techniques using fault-tolerant quantum computers to estimate the ground-state energy of a chemical Hamiltonian involve compression of the Coulomb operator through tensor factorizations, enabling efficient block-encodings…

Quantum computers are expected to help us to achieve accurate simulation of the dynamics of many-body quantum systems. However, the limitations of current NISQ devices prevents us from realising this goal today. Recently an algorithm for…

Quantum Physics · Physics 2021-08-17 Jonathan Wei Zhong Lau , Kishor Bharti , Tobias Haug , Leong Chuan Kwek

The simulation of quantum many-body systems, relevant for quantum chemistry and condensed matter physics, is one of the most promising applications of near-term quantum computers before fault-tolerance. However, since the vast majority of…

Quantum Physics · Physics 2025-10-20 Arash Jafarizadeh , Frank Pollmann , Adam Gammon-Smith

Combinatorial optimization is a promising application for near-term quantum computers, however, identifying performant algorithms suited to noisy quantum hardware remains as an important goal to potentially realizing quantum computational…

Quantum Physics · Physics 2025-04-01 Titus D. Morris , Ananth Kaushik , Martin Roetteler , Phillip C. Lotshaw

Quantum computing has the potential to revolutionize multiple fields by solving complex problems that can not be solved in reasonable time with current classical computers. Nevertheless, the development of quantum computers is still in its…

With the aim of establishing a framework to efficiently perform the practical application of quantum chemistry simulation on near-term quantum devices, we envision a hybrid quantum--classical framework for leveraging problem decomposition…

Quantum computing holds promise for revolutionizing computational chemistry simulations, particularly in drug discovery. However, current quantum hardware is limited by noise and scale, necessitating bridging technologies. This study…

Quantum Physics · Physics 2025-04-16 Marek Kowalik , Ellen Michael , Peter Pogány , Phalgun Lolur

In the last years, we have been witnessing a tremendous push to demonstrate that quantum computers can solve classically intractable problems. This effort, initially focused on the hardware, progressively included the simplification of the…

Quantum Physics · Physics 2024-01-26 Lane G. Gunderman , Andrew J. Jena , Luca Dellantonio

Quantum-classical hybrid algorithms are emerging as promising candidates for near-term practical applications of quantum information processors in a wide variety of fields ranging from chemistry to physics and materials science. We report…

We introduce a hybrid classical-quantum algorithm to compute dynamical correlation functions and excitation spectra in many-body quantum systems, with a focus on molecular systems. The method combines classical preparation of a perturbed…

Quantum Physics · Physics 2025-10-30 Alessandro Santini , Stefano Barison , Filippo Vicentini

The state vector-based simulation offers a convenient approach to developing and validating quantum algorithms with noise-free results. However, limited by the absence of cache-aware implementations and unpolished circuit optimizations, the…

Quantum Physics · Physics 2024-06-21 Chuan-Chi Wang , Yu-Cheng Lin , Yan-Jie Wang , Chia-Heng Tu , Shih-Hao Hung

Quantum simulations of electronic structure with a transformed Hamiltonian that includes some electron correlation effects are demonstrated. The transcorrelated Hamiltonian used in this work is efficiently constructed classically, at…

Quantum simulation provides a powerful route for exploring many-body phenomena beyond the capabilities of classical computation. Existing approaches typically proceed in the forward direction: a model Hamiltonian is specified, implemented…

We propose a method for classical simulation of finite-dimensional quantum systems, based on sampling from a quasiprobability distribution, i.e., a generalized Wigner function. Our construction applies to all finite dimensions, with the…

Quantum Physics · Physics 2020-03-10 Robert Raussendorf , Juani Bermejo-Vega , Emily Tyhurst , Cihan Okay , Michael Zurel

We develop randomized quantum algorithms to simulate quantum collision models, also known as repeated interaction schemes, which provide a rich framework to model various open-system dynamics. The underlying technique involves composing…

Quantum Physics · Physics 2025-08-20 Kushagra Garg , Zeeshan Ahmed , Subhadip Mitra , Shantanav Chakraborty

Recent work has shown that it can be advantageous to implement a composite channel that partitions the Hamiltonian $H$ for a given simulation problem into subsets $A$ and $B$ such that $H=A+B$, where the terms in $A$ are simulated with a…

Quantum Physics · Physics 2023-06-30 Matthew Pocrnic , Matthew Hagan , Juan Carrasquilla , Dvira Segal , Nathan Wiebe

Quantum simulation has emerged as a key application of quantum computing, with significant progress made in algorithms for simulating both closed and open quantum systems. The simulation of open quantum systems, particularly those governed…

Quantum Physics · Physics 2026-04-15 Evan Borras , Milad Marvian

The capacity for solving eigenstates with a quantum computer is key for ultimately simulating physical systems. Here we propose inverse iteration quantum eigensolvers, which exploit the power of quantum computing for the classical inverse…

Quantum Physics · Physics 2022-03-09 Min-Quan He , Dan-Bo Zhang , Z. D. Wang
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