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Quantum computation is one of the most promising new paradigms for the simulation of physical systems composed of electrons and atomic nuclei, with applications in chemistry, solid-state physics, materials science, and molecular biology.…

Quantum Physics · Physics 2024-11-05 Jakob Günther , Alberto Baiardi , Markus Reiher , Matthias Christandl

We develop a non-perturbative approach to simulating scattering on classical and quantum computers, in which the initial and final states contain a fixed number of composite particles. The construction is designed to mimic a particle…

Quantum Physics · Physics 2023-10-30 Michael Kreshchuk , James P. Vary , Peter J. Love

Quantum simulation holds the promise of improving the atomic simulations used at EDF to anticipate the ageing of materials of interest. One simulator in particular seems well suited to modeling interacting electrons: the Rydberg atoms…

Quantum Physics · Physics 2024-06-21 Antoine Michel

Tensor network theory and quantum simulation are respectively the key classical and quantum computing methods in understanding quantum many-body physics. Here, we introduce the framework of hybrid tensor networks with building blocks…

Quantum Physics · Physics 2021-09-02 Xiao Yuan , Jinzhao Sun , Junyu Liu , Qi Zhao , You Zhou

Accurately predicting response properties of molecules such as the dynamic polarizability and hyperpolarizability using quantum mechanics has been a long-standing challenge with widespread applications in material and drug design. Classical…

Chemical Physics · Physics 2020-09-01 Xiaoxia Cai , Wei-Hai Fang , Heng Fan , Zhendong Li

With quantum computers of significant size now on the horizon, we should understand how to best exploit their initially limited abilities. To this end, we aim to identify a practical problem that is beyond the reach of current classical…

Quantum Physics · Physics 2018-09-26 Andrew M. Childs , Dmitri Maslov , Yunseong Nam , Neil J. Ross , Yuan Su

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…

Plasmas are usually described using classical equations. While this is often a good approximation, where are situations when a quantum description is motivated. In this paper we will include several quantum effects, ranging from particle…

Plasma Physics · Physics 2017-08-23 G. Brodin , M. Marklund

The development of novel quantum many-body computational algorithms relies on robust benchmarking. However, generating such benchmarks is often hindered by the massive computational resources required for exact diagonalization or quantum…

Strongly Correlated Electrons · Physics 2025-12-29 Wei-Bo He , Yun-Tong Yang , Hong-Gang Luo

Engineering design processes involve iterative design evaluations requiring numerous computationally intensive numerical simulations. Quantum algorithms promise substantial speedups for specific tasks relevant to engineering simulations.…

Quantum Physics · Physics 2026-03-26 Leonhard Hölscher , Lukas Müller , Or Samimi , Tamuz Danzig

Quantum computation appears to offer significant advantages over classical computation and this has generated a tremendous interest in the field. In this thesis we consider the application of quantum computers to scientific computing and…

Quantum Physics · Physics 2018-05-10 Stuart Hadfield

Accurate models for open quantum systems -- quantum states that have non-trivial interactions with their environment -- may aid in the advancement of a diverse array of fields, including quantum computation, informatics, and the prediction…

Fermions are fundamental particles which obey seemingly bizarre quantum-mechanical principles, yet constitute all the ordinary matter that we inhabit. As such, their study is heavily motivated from both fundamental and practical incentives.…

Quantum Physics · Physics 2023-12-19 Andrew Zhao

The discovery of an algorithm for factoring which runs in polynomial time on a quantum computer has given rise to a concerted effort to understand the principles, advantages, and limitations of quantum computing. At the same time, many…

Quantum Physics · Physics 2007-05-23 Chris Adami , Jonathan P. Dowling

Digital quantum computers promise exponential speedups in performing quantum time-evolution, providing an opportunity to simulate quantum dynamics of complex systems in physics and chemistry. However, the task of extracting desired quantum…

Quantum Physics · Physics 2025-03-10 Chong Hian Chee , Daniel Leykam , Adrian M. Mak , Kishor Bharti , Dimitris G. Angelakis

We propose a variational scheme to represent composite quantum systems using multiple parameterized functions of varying accuracies on both classical and quantum hardware. The approach follows the variational principle over the entire…

Quantum Physics · Physics 2024-06-21 Stefano Barison , Filippo Vicentini , Giuseppe Carleo

Simulating quantum algorithms on classical computers is challenging when the system size, i.e., the number of qubits used in the quantum algorithm, is moderately large. However, some quantum algorithms and the corresponding quantum circuits…

Computational Engineering, Finance, and Science · Computer Science 2021-04-26 Linjian Ma , Chao Yang

Simulating quantum mechanics is known to be a difficult computational problem, especially when dealing with large systems. However, this difficulty may be overcome by using some controllable quantum system to study another less controllable…

Quantum Physics · Physics 2014-03-14 I. M. Georgescu , S. Ashhab , Franco Nori

We address the question of how a quantum computer can be used to simulate experiments on quantum systems in thermal equilibrium. We present two approaches for the preparation of the equilibrium state on a quantum computer. For both…

Quantum Physics · Physics 2009-10-31 Barbara M. Terhal , David P. DiVincenzo

The fundamental problem faced in quantum chemistry is the calculation of molecular properties, which are of practical importance in fields ranging from materials science to biochemistry. Within chemical precision, the total energy of a…