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Quantum algorithms for electronic-structure simulations are actively being developed, yet many hybrid quantum-classical approaches are bottlenecked by the measurement overhead associated with large molecular Hamiltonians. Here we introduce…

Quantum Physics · Physics 2026-03-10 Benjamin Mokhtar , Noboru Inoue , Takashi Tsuchimochi

We present quantum algorithms for the simulation of quantum systems in one spatial dimension, which result in quantum speedups that range from superpolynomial to polynomial. We first describe a method to simulate the evolution of the…

Quantum Physics · Physics 2016-08-09 Rolando D. Somma

Digital quantum simulation has broad applications in approximating unitary evolution of Hamiltonians. In practice, many simulation tasks for quantum systems focus on quantum states in the low-energy subspace instead of the entire Hilbert…

Quantum Physics · Physics 2024-07-16 Weiyuan Gong , Shuo Zhou , Tongyang Li

Quantum machine learning algorithms, the extensions of machine learning to quantum regimes, are believed to be more powerful as they leverage the power of quantum properties. Quantum machine learning methods have been employed to solve…

Computational Physics · Physics 2021-06-01 Shree Hari Sureshbabu , Manas Sajjan , Sangchul Oh , Sabre Kais

Solving partial differential equations for extremely large-scale systems within a feasible computation time serves in accelerating engineering developments. Quantum computing algorithms, particularly the Hamiltonian simulations, present a…

Quantum Physics · Physics 2024-09-10 Yuki Sato , Ruho Kondo , Ikko Hamamura , Tamiya Onodera , Naoki Yamamoto

Many promising quantum applications depend on the efficient quantum simulation of an exponentially large sparse Hamiltonian, a task known as sparse Hamiltonian simulation, which is fundamentally important in quantum computation. Although…

Quantum Physics · Physics 2025-09-16 Jiaqi Leng , Joseph Li , Yuxiang Peng , Xiaodi Wu

A potential approach for demonstrating quantum advantage is using quantum computers to simulate fermionic systems. Quantum algorithms for fermionic system simulation usually involve the Hamiltonian evolution and measurements. However, in…

Quantum Physics · Physics 2025-05-14 Qing-Song Li , Jiaxuan Zhang , Huan-Yu Liu , Qingchun Wang , Yu-Chun Wu , Guo-Ping Guo

The cost of encoding a system Hamiltonian in a digital quantum computer as a linear combination of unitaries (LCU) grows with the 1-norm of the LCU expansion. The Block Invariant Symmetry Shift (BLISS) technique reduces this 1-norm by…

It is difficult to calculate the energy levels and eigenstates of a large physical system on a classical computer because of the exponentially growing size of the Hilbert space. In this work, we experimentally demonstrate a quantum…

Quantum Physics · Physics 2019-03-12 Zhaokai Li , Xiaomei Liu , Hefeng Wang , Sahel Ashhab , Jiangyu Cui , Hongwei Chen , Xinhua Peng , Jiangfeng Du

The difficulty of simulating quantum dynamics depends on the norm of the Hamiltonian. When the Hamiltonian varies with time, the simulation complexity should only depend on this quantity instantaneously. We develop quantum simulation…

Quantum Physics · Physics 2020-04-21 Dominic W. Berry , Andrew M. Childs , Yuan Su , Xin Wang , Nathan Wiebe

The exponential speedups promised by Hamiltonian simulation on a quantum computer depends crucially on structure in both the Hamiltonian $\hat{H}$, and the quantum circuit $\hat{U}$ that encodes its description. In the quest to better…

Quantum Physics · Physics 2017-07-19 Guang Hao Low , Isaac L. Chuang

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

We present a quantum algorithm for simulating quantum chemistry with gate complexity $\tilde{O}(N^{1/3} \eta^{8/3})$ where $\eta$ is the number of electrons and $N$ is the number of plane wave orbitals. In comparison, the most efficient…

Quantum Physics · Physics 2019-11-06 Ryan Babbush , Dominic W. Berry , Jarrod R. McClean , Hartmut Neven

Unknown unitary inversion is a fundamental primitive in quantum computing and physics. Although recent work has demonstrated that quantum algorithms can invert arbitrary unknown unitaries without accessing their classical descriptions,…

Quantum Physics · Physics 2025-06-26 Yin Mo , Tengxiang Lin , Xin Wang

In this work we propose an approach for implementing time-evolution of a quantum system using product formulas. The quantum algorithms we develop have provably better scaling (in terms of gate complexity and circuit depth) than a naive…

We propose a quantum algorithm for inferring the molecular nuclear spin Hamiltonian from time-resolved measurements of spin-spin correlators, which can be obtained via nuclear magnetic resonance (NMR). We focus on learning the anisotropic…

Owing to the computational complexity of electronic structure algorithms running on classical digital computers, the range of molecular systems amenable to simulation remains tightly circumscribed even after many decades of work. Quantum…

Quantum Physics · Physics 2022-05-18 Alexis Ralli , Michael I. Williams , Peter V. Coveney

Quantum algorithms for selecting a subspace of Hamiltonians to diagonalize have emerged as a promising alternative to variational algorithms in the NISQ era. So far, such algorithms, which include the quantum selected configuration…

Quantum simulation is a foundational application for quantum computers, projected to offer insights into complex quantum systems beyond the reach of classical computation. However, with the exception of Trotter-based methods, which suffer…

Quantum Physics · Physics 2026-02-10 Amir Kalev , Itay Hen

Unwanted interaction between a quantum system and its fluctuating environment leads to decoherence and is the primary obstacle to establishing a scalable quantum information processing architecture. Strategies such as environmental and…