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Modeling low energy eigenstates of fermionic systems can provide insight into chemical reactions and material properties and is one of the most anticipated applications of quantum computing. We present three techniques for reducing the cost…

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…

The computation of excited states in strongly interacting quantum many-body systems is of fundamental importance. Yet, it is notoriously challenging due to the exponential scaling of the Hilbert space dimension with the system size. Here,…

Quantum Physics · Physics 2025-06-11 Yixuan Ma , Chang Liu , Weikang Li , Shun-Yao Zhang , L. -M. Duan , Yukai Wu , Dong-Ling Deng

We study the quantization of three-dimensional many-body systems in rotating coordinate frames defined implicitly by frame conditions. We carry out the elimination of orientational degrees of freedom in general, giving the Hamiltonian for…

Chemical Physics · Physics 2009-11-11 Antonio O. Bouzas

We propose a new quantum computational way of obtaining a ground-state energy and expectation values of observables of interacting Hamiltonians. It is based on the combination of the adiabatic quantum evolution to project a ground state of…

Quantum Physics · Physics 2009-10-31 Sangchul Oh

Understanding and characterising quantum many-body dynamics remains a significant challenge due to both the exponential complexity required to represent quantum many-body Hamiltonians, and the need to accurately track states in time under…

Quantum Physics · Physics 2024-08-19 Timothy Heightman , Edward Jiang , Antonio Acín

Gate model quantum computers with too many qubits to be simulated by available classical computers are about to arrive. We present a strategy for programming these devices without error correction or compilation. This means that the number…

Quantum Physics · Physics 2017-03-21 E. Farhi , J. Goldstone , S. Gutmann , H. Neven

While quantum computers are capable of simulating many quantum systems efficiently, the simulation algorithms must begin with the preparation of an appropriate initial state. We present a method for generating physically relevant quantum…

Quantum Physics · Physics 2009-05-29 Nicholas J. Ward , Ivan Kassal , Alán Aspuru-Guzik

Accurately computing the free energies of biological processes is a cornerstone of computer-aided drug design but it is a daunting task. The need to sample vast conformational spaces and account for entropic contributions makes the…

Many-body entangled quantum states studied in condensed matter physics can be primary resources for quantum information, allowing any quantum computation to be realized using measurements alone, on the state. Such a universal state would be…

Quantum Physics · Physics 2013-05-29 Xie Chen , Bei Zeng , Zhengcheng Gu , Beni Yoshida , Isaac L. Chuang

By allowing measurements of observables other than the state of the qubits in a quantum computer, one can find eigenvectors very quickly. If a unitary operation U is implemented as a time-independent Hamiltonian, for instance, one can…

Quantum Physics · Physics 2021-08-26 Michael Stay

Fundamental questions in chemistry and physics may never be answered due to the exponential complexity of the underlying quantum phenomena. A desire to overcome this challenge has sparked a new industry of quantum technologies with the…

Accurate computation of multiple eigenvalues of quantum Hamiltonians is essential in quantum chemistry, materials science, and molecular spectroscopy. Estimating excited-state energies is challenging for classical algorithms due to…

Quantum Physics · Physics 2026-05-22 Grzegorz Rajchel-Mieldzioć , Szymon Pliś , Emil Zak

The characterization of quantum coherence in the context of quantum information theory and its interplay with quantum correlations is currently subject of intense study. Coherence in an Hamiltonian eigenbasis yields asymmetry, the ability…

Quantum Physics · Physics 2017-03-24 Davide Girolami , Benjamin Yadin

Computing the ground state of interacting quantum matter is a long-standing challenge, especially for complex two-dimensional systems. Recent developments have highlighted the potential of neural quantum states to solve the quantum…

Disordered Systems and Neural Networks · Physics 2025-07-03 Ao Chen , Markus Heyl

The problem of finding the ground state of a frustration-free Hamiltonian carrying only two-body interactions between qubits is known to be solvable in polynomial time. It is also shown recently that, for any such Hamiltonian, there is…

Quantum Physics · Physics 2015-05-20 Zhengfeng Ji , Zhaohui Wei , Bei Zeng

Hamiltonian learning is crucial to the certification of quantum devices and quantum simulators. In this paper, we propose a hybrid quantum-classical Hamiltonian learning algorithm to find the coefficients of the Pauli operator components of…

Quantum Physics · Physics 2023-10-16 Youle Wang , Guangxi Li , Xin Wang

The determination of ground state properties of quantum systems is a fundamental problem in physics and chemistry, and is considered a key application of quantum computers. A common approach is to prepare a trial ground state on the quantum…

Quantum Physics · Physics 2023-12-13 Harish J. Vallury , Lloyd C. L. Hollenberg

Drawing the quantum phase diagram of a many-body system in the parameter space of its Hamiltonian can be seen as a learning problem, which implies labelling the corresponding ground states according to some classification criterium that…

Quantum Physics · Physics 2025-10-17 Mehran Khosrojerdi , Alessandro Cuccoli , Paola Verrucchi , Leonardo Banchi

Arrays of optically trapped atoms excited to Rydberg states have recently emerged as a competitive physical platform for quantum simulation and computing, where high-fidelity state preparation and readout, quantum logic gates and controlled…

Quantum Physics · Physics 2021-05-19 M. Morgado , S. Whitlock
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