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Quantum computing is being extensively used in quantum chemistry, especially in simulating simple molecules and evaluating properties like the ground state energy, dipole moment, etc. The transformation of a molecular Hamiltonian from the…

Quantum Physics · Physics 2024-01-18 Harshdeep Singh , Sabyashachi Mishra , Sonjoy Majumder

For quantum computing applications, the electronic Hamiltonian for the electronic structure problem needs to be unitarily transformed to a qubit form. We found that mean-field procedures on the original electronic Hamiltonian and on its…

Chemical Physics · Physics 2021-12-08 Ilya G. Ryabinkin , Scott N. Genin , Artur F. Izmaylov

Hidden Markov models (HMMs) are characterized by an unobservable Markov chain and an observable process -- a noisy version of the hidden chain. Decoding the original signal from the noisy observations is one of the main goals in nearly all…

Methodology · Statistics 2026-05-19 Alexandre Mösching , Housen Li , Axel Munk

A broad spectrum of physical systems in condensed-matter and high-energy physics, vibrational spectroscopy, and circuit and cavity QED necessitates the incorporation of bosonic degrees of freedom, such as phonons, photons, and gluons, into…

Quantum Physics · Physics 2025-02-28 Bo Peng , Yuan Su , Daniel Claudino , Karol Kowalski , Guang Hao Low , Martin Roetteler

This article proposes a formalism which unifies Hamiltonian simulation techniques from different fields. This formalism leads to a competitive method to construct the Hamiltonian simulation with a comprehensible, simple-to-implement circuit…

Quantum Physics · Physics 2025-01-22 Robin Ollive , Stephane Louise

Simulating quantum many-body systems represents a fundamental challenge where classical machine learning methods are severely bottlenecked by the exponential curse of dimensionality. Variational Quantum Algorithms (VQAs) offer a native…

Quantum Physics · Physics 2026-03-31 Ge Yan , Kaisen Pan , Ruocheng Wang , Mengfei Ran , Hongxu Chen , Junchi Yan

In this work, we address the problem of a resource-efficient formulation of non-Abelian LGTs by focusing on the difficulty of simulating fermionic degrees of freedom and the Hilbert space redundancy. First, we show a procedure that removes…

High Energy Physics - Lattice · Physics 2026-01-19 Emanuele Gaz , Pavel P. Popov , Guy Pardo , Maciej Lewenstein , Philipp Hauke , Erez Zohar

CNOT circuits are a common building block of general quantum circuits. The problem of synthesizing and optimizing such circuits has received a lot of attention in the quantum computing literature. This problem is especially challenging for…

Quantum Physics · Physics 2024-08-09 Nir Gavrielov , Alexander Ivrii , Shelly Garion

We introduce novel algorithms for the quantum simulation of molecular systems which are asymptotically more efficient than those based on the Trotter-Suzuki decomposition. We present the first application of a recently developed technique…

A compelling application of quantum computers with thousands of qubits is quantum simulation. Simulating fermionic systems is both a problem with clear real-world applications and a computationally challenging task. In order to simulate a…

Quantum Physics · Physics 2026-02-27 Emiliia Dyrenkova , Raymond Laflamme , Michael Vasmer

We present the problem of approximating the time-evolution operator $e^{-i\hat{H}t}$ to error $\epsilon$, where the Hamiltonian $\hat{H}=(\langle G|\otimes\hat{\mathcal{I}})\hat{U}(|G\rangle\otimes\hat{\mathcal{I}})$ is the projection of a…

Quantum Physics · Physics 2019-07-17 Guang Hao Low , Isaac L. Chuang

We propose a method for the efficient quantum simulation of fermionic systems with superconducting circuits. It consists in the suitable use of Jordan-Wigner mapping, Trotter decomposition, and multiqubit gates, be with the use of a quantum…

Quantum Physics · Physics 2015-04-01 U. Las Heras , L. García-Álvarez , A. Mezzacapo , E. Solano , L. Lamata

As the nascent field of quantum computing develops, an increasing number of quantum hardware modalities, such as superconducting electronic circuits, semiconducting spins, trapped ions, and neutral atoms, have become available for…

Quantum Physics · Physics 2023-01-30 Sebastian Brandhofer , Jinwoong Kim , Siyuan Niu , Nicholas T. Bronn

We argue that all locality-preserving mappings between fermionic observables and Pauli matrices on a two-dimensional lattice can be generated from the exact bosonization in Ref. [1], whose gauge constraints project onto the subspace of the…

Quantum Physics · Physics 2023-03-17 Yu-An Chen , Yijia Xu

Recently we developed a local and constructive algorithm based on Lie algebraic methods for compressing Trotterized evolution under Hamiltonians that can be mapped to free fermions. The compression algorithm yields a circuit which scales…

In the paper, we consider quantum circuits for Quantum fingerprinting (quantum hashing) and quantum Fourier transform (QFT) algorithms. Quantum fingerprinting (quantum hashing) is a well-known technique for comparing large objects using…

Quantum Physics · Physics 2026-02-04 Kamil Khadiev , Aliya Khadieva , Zeyu Chen , Junde Wu

Compiling shallow and accurate quantum circuits for Hamiltonian simulation remains challenging due to hardware constraints and the combinatorial complexity of minimizing gate count and circuit depth. Existing optimization method pipelines…

Quantum Physics · Physics 2025-12-11 Ethan Decker , Christopher Watson , Junyu Zhou , Yuhao Liu , Chenxu Liu , Ang Li , Gushu Li , Samuel Stein

Electronic structure simulation is an anticipated application for quantum computers. Due to high-dimensional quantum entanglement in strongly correlated systems, the quantum resources required to perform such simulations are far beyond the…

Quantum Physics · Physics 2022-01-25 Jie Liu , Zhenyu Li , Jinlong Yang

The construction of the Hamiltonian matrix \textbf{H} is an essential, yet computationally expensive step in \textit{ab-initio} device simulations based on density-functional theory (DFT). In homogeneous structures, the fact that a unit…

Disordered Systems and Neural Networks · Physics 2026-02-03 Chen Hao Xia , Manasa Kaniselvan , Marko Mladenoivić , Mathieu Luisier

Ground-state preparation for a given Hamiltonian is a common quantum-computing task of great importance and has relevant applications in quantum chemistry, computational material modeling, and combinatorial optimization. We consider an…

Quantum Physics · Physics 2022-10-18 Yu-Qin Chen , Shi-Xin Zhang , Chang-Yu Hsieh , Shengyu Zhang