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Simulating strongly correlated fermionic systems is notoriously hard on classical computers. An alternative approach, as proposed by Feynman, is to use a quantum computer. Here, we discuss quantum simulation of strongly correlated fermionic…

Quantum Physics · Physics 2018-05-02 Zhang Jiang , Kevin J. Sung , Kostyantyn Kechedzhi , Vadim N. Smelyanskiy , Sergio Boixo

Hamiltonian simulation is a central task in quantum computing, with wide-ranging applications in quantum chemistry, condensed matter physics, and combinatorial optimization. A fundamental challenge lies in approximating the unitary…

Quantum Physics · Physics 2025-05-15 Molena Nguyen , Naihuan Jing

Simulation of quantum chemistry is expected to be a principal application of quantum computing. In quantum simulation, a complicated Hamiltonian describing the dynamics of a quantum system is decomposed into its constituent terms, where the…

Quantum Physics · Physics 2020-03-04 Yingkai Ouyang , David R. White , Earl T. Campbell

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

We consider simulating quantum systems on digital quantum computers. We show that the performance of quantum simulation can be improved by simultaneously exploiting commutativity of the target Hamiltonian, sparsity of interactions, and…

Quantum Physics · Physics 2021-07-06 Yuan Su , Hsin-Yuan Huang , Earl T. Campbell

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…

We propose a quantum algorithm to simulate the dynamics in quantum chemistry problems. It is based on adding fresh qubits at each Trotter step, which enables a simpler implementation of the dynamics in the extended system. After each step,…

Quantum Physics · Physics 2025-02-07 Maxine Luo , J. Ignacio Cirac

A highly anticipated use of quantum computers is the simulation of complex quantum systems including molecules and other many-body systems. One promising method involves directly applying a linear combination of unitaries (LCU) to…

Quantum Physics · Physics 2022-02-02 Richard Meister , Simon C. Benjamin , Earl T. Campbell

Stochastic methods offer an effective way to suppress coherent errors in quantum simulation. In particular, the randomized compilation protocol may reduce circuit depth by randomly sampling Hamiltonian terms rather than following the…

Quantum Physics · Physics 2026-05-15 Yu-Xia Wu , Yun-Zhuo Fan , Dan-Bo Zhang

The quantum simulation of quantum chemistry is a promising application of quantum computers. However, for N molecular orbitals, the $\mathcal{O}(N^4)$ gate complexity of performing Hamiltonian and unitary Coupled Cluster Trotter steps makes…

Computational Physics · Physics 2022-05-18 Mario Motta , Erika Ye , Jarrod R. McClean , Zhendong Li , Austin J. Minnich , Ryan Babbush , Garnet Kin-Lic Chan

We provide a new approach for compiling quantum simulation circuits that appear in Trotter, qDRIFT and multi-product formulas to Clifford and non-Clifford operations that can reduce the number of non-Clifford operations by a factor of up to…

Quantum Physics · Physics 2023-05-09 Priyanka Mukhopadhyay , Nathan Wiebe , Hong Tao Zhang

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

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

We propose a variational alternative to the Trotter-Suzuki decomposition that provides greater control over errors while preserving the unitary structure of time evolution. The variational parameters in our ansatz are derived from a global…

Quantum Physics · Physics 2025-11-20 Ibsal Assi , Michael Vogl , Meenu Kumari , J. P. F. LeBlanc

We provide an explicit recursive divide and conquer approach for simulating quantum dynamics and derive a discrete first quantized non-relativistic QED Hamiltonian based on the many-particle Pauli Fierz Hamiltonian. We apply this recursive…

Quantum Physics · Physics 2024-03-19 Priyanka Mukhopadhyay , Torin F. Stetina , Nathan Wiebe

Simulation of fermionic Hamiltonians with gate-based quantum computers requires the selection of an encoding from fermionic operators to quantum gates, the most widely used being the Jordan-Wigner transform. Many alternative encodings…

Quantum Physics · Physics 2026-05-01 Michael Williams de la Bastida , Thomas M. Bickley , Peter V. Coveney

We present and open source a quantum circuit simulator tailored to chemistry applications. More specifically, our simulator can compute the Born-rule probabilities of samples obtained from circuits containing passive fermionic linear…

In this work we investigate methods to improve the efficiency and scalability of quantum algorithms for quantum chemistry applications. We propose a transformation of the electronic structure Hamiltonian in the second quantization framework…

Simulating the dynamic evolutions of physical and molecular systems in a quantum computer is of fundamental interest in many applications. Its implementation requires efficient quantum simulation algorithms. The Lie-Trotter-Suzuki…

Quantum Physics · Physics 2022-11-15 Yue Yu , Yulin Chi , Chonghao Zhai , Jieshan Huang , Qihuang Gong , Jianwei Wang

Hamiltonian simulation, i.e., simulating the real time evolution of a target quantum system, is a natural application of quantum computing. Trotter-Suzuki splitting methods can generate corresponding quantum circuits; however, a faithful…

Quantum Physics · Physics 2024-03-21 Ayse Kotil , Rahul Banerjee , Qunsheng Huang , Christian B. Mendl