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Vibronic interactions between nuclear motion and electronic states are critical for the accurate modeling of photochemistry. However, accurate simulations of fully quantum non-adiabatic dynamics are often prohibitively expensive for…

We present high-precision quantum computing simulations of three-body atoms (He, H$^-$) and molecules (H$_2^+$, HD$^+$), the latter being studied beyond the Born-Oppenheimer approximation. The Non-Iterative Disentangled Unitary Coupled…

Quantum Physics · Physics 2025-10-22 Mohammad Haidar , Hugo D. Nogueira , J. -Ph. Karr

Hamiltonian simulation is a promising application for quantum computers to achieve a quantum advantage. We present classical algorithms based on tensor network methods to optimize quantum circuits for this task. We show that, compared to…

Quantum Physics · Physics 2023-06-05 Conor Mc Keever , Michael Lubasch

The Quantum Fourier transform (QFT) is a key ingredient in most quantum algorithms. We have compared various spin-based quantum computing schemes to implement the QFT from the point of view of their actual time-costs and the accuracy of the…

Quantum Physics · Physics 2014-08-07 Kavita Dorai , Dieter Suter

We aim to explore a more efficient way to simulate few-body dynamics on quantum computers. Instead of mapping the second quantization of the system Hamiltonian to qubit Pauli gates representation via the Jordan-Wigner transform, we propose…

Quantum Physics · Physics 2025-09-09 Peng Guo , Jaime Park , Frank X. Lee

Correlated electron materials, such as superconductors and magnetic materials, are regarded as fascinating targets in quantum computing. However, the quantitative resources, specifically the number of quantum gates and qubits, required to…

Quantum Physics · Physics 2022-08-02 Shu Kanno , Suguru Endo , Takeru Utsumi , Tomofumi Tada

We study how parallelism can speed up quantum simulation. A parallel quantum algorithm is proposed for simulating the dynamics of a large class of Hamiltonians with good sparse structures, called uniform-structured Hamiltonians, including…

Quantum Physics · Physics 2024-01-17 Zhicheng Zhang , Qisheng Wang , Mingsheng Ying

We propose an iterative algorithm to simulate the dynamics generated by any $n$-qubit Hamiltonian. The simulation entails decomposing the unitary time evolution operator $U$ (unitary) into a product of different time-step unitaries. The…

Quantum Physics · Physics 2012-04-09 Ashok Ajoy , Rama Koteswara Rao , Anil Kumar , Pranaw Rungta

In this paper we develop a classical algorithm of complexity $O(K \, 2^n)$ to simulate parametrized quantum circuits (PQCs) of $n$ qubits, where $K$ is the total number of one-qubit and two-qubit control gates. The algorithm is developed by…

Quantum Physics · Physics 2024-02-01 Bibhas Adhikari , Aryan Jha

Quantum computers promise to revolutionize our ability to simulate molecules, and cloud-based hardware is becoming increasingly accessible to a wide body of researchers. Algorithms such as Quantum Phase Estimation and the Variational…

Quantum Physics · Physics 2021-12-21 Kyle Sherbert , Frank Cerasoli , Marco Buongiorno Nardelli

The factorized form of the unitary coupled-cluster approximation is one of the most promising methodologies to prepare trial states for strongly correlated systems within the variational quantum eigensolver framework. The factorized form of…

Quantum Physics · Physics 2022-01-05 Luogen Xu , Joseph T. Lee , J. K. Freericks

Quantum simulation algorithms often require numerous ancilla qubits and deep circuits, prohibitive for near-term hardware. We introduce a framework for simulating quantum channels using ensembles of low-depth circuits in place of many-qubit…

Quantum Physics · Physics 2024-08-01 Joseph Peetz , Scott E. Smart , Prineha Narang

While thousands of experimental physicists and chemists are currently trying to build scalable quantum computers, it appears that simulation of quantum computation will be at least as critical as circuit simulation in classical VLSI design.…

Quantum Physics · Physics 2007-05-23 George F. Viamontes , Manoj Rajagopalan , Igor L. Markov , John P. Hayes

Each year, the gap between theoretical proposals and experimental endeavours to create quantum computers gets smaller, driven by the promise of fundamentally faster algorithms and quantum simulations. This occurs by the combination of…

Quantum Physics · Physics 2016-04-20 Bobby Antonio

Quantum simulation has wide applications in quantum chemistry and physics. Recently, scientists have begun exploring the use of randomized methods for accelerating quantum simulation. Among them, a simple and powerful technique, called…

Quantum Physics · Physics 2026-03-26 Chi-Fang Chen , Hsin-Yuan Huang , Richard Kueng , Joel A. Tropp

We consider simulating the BCS Hamiltonian, a model of low temperature superconductivity, on a quantum computer. In particular we consider conducting the simulation on the qubus quantum computer, which uses a continuous variable ancilla to…

Quantum Physics · Physics 2011-11-08 Katherine L. Brown , Suvabrata De , Vivien M. Kendon , William J. Munro

Quantum computers hold unprecedented potentials for machine learning applications. Here, we prove that physical quantum circuits are PAC (probably approximately correct) learnable on a quantum computer via empirical risk minimization: to…

Quantum Physics · Physics 2022-01-04 Haoyuan Cai , Qi Ye , Dong-Ling Deng

In the near future, material and drug design may be aided by quantum computer assisted simulations. These have the potential to target chemical systems intractable by the most powerful classical computers. However, the resources offered by…

To treat a problem with a Quantum Processing Unit (QPU), it must be transformed into a sequence of quantum operations, or gates: this is the quantum description of the problem. These operations are either packed into a query (i.e. quantum…

Quantum Physics · Physics 2026-03-19 Robin Ollive , Stéphane Louise

Classical simulation is essential in quantum algorithm development and quantum device verification. With the increasing complexity and diversity of quantum circuit structures, existing classical simulation algorithms need to be improved and…

Distributed, Parallel, and Cluster Computing · Computer Science 2025-04-15 Yaojian Chen , Zhaoqi Sun , Chengyu Qiu , Zegang Li , Yanfei Liu , Lin Gan , Xiaohui Duan , Guangwen Yang