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Achieving an accurate description of fermionic systems typically requires considerably many more orbitals than fermions. Previous resource analyses of quantum chemistry simulation often failed to exploit this low fermionic number…

Quantum Physics · Physics 2022-05-24 Sam McArdle , Earl Campbell , Yuan Su

Recent work has deployed linear combinations of unitaries techniques to reduce the cost of fault-tolerant quantum simulations of correlated electron models. Here, we show that one can sometimes improve upon those results with optimized…

Solving the electronic structure problem via unitary evolution of the electronic Hamiltonian is one of the promising applications of digital quantum computers. One of the practical strategies to implement the unitary evolution is via…

Quantum Physics · Physics 2023-08-23 Luis A. Martínez-Martínez , Tzu-Ching Yen , Artur F. Izmaylov

The factorized form of the unitary coupled cluster ansatz is a popular state preparation ansatz for electronic structure calculations of molecules on quantum computers. It often is viewed as an approximation (based on the Trotter product…

Chemical Physics · Physics 2022-02-16 Jia Chen , Hai-Ping Cheng , J. K. Freericks

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

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

We present a general method which expresses a unitary operator by the product of operators allowed by the Hamiltonian of spin-1/2 systems. In this method, the generator of an operator is found first, and then the generator is expanded by…

Quantum Physics · Physics 2009-10-31 Jaehyun Kim , Jae-Seung Lee , Soonchil Lee

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

We demonstrate how structured decompositions of unitary operators can be employed to derive control schemes for finite-level quantum systems that require only sequences of simple control pulses such as square wave pulses with finite rise…

Quantum Physics · Physics 2009-11-07 S. G. Schirmer , A. D. Greentree , V. Ramakrishna , H. Rabitz

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

We propose a method of simulating efficiently many-body interacting fermion lattice models in trapped ions, including highly nonlinear interactions in arbitrary spatial dimensions and for arbitrarily distant couplings. We map products of…

Quantum Physics · Physics 2015-05-30 J. Casanova , A. Mezzacapo , L. Lamata , E. Solano

We present efficient quantum circuits for fermionic excitation operators tailored for ion trap quantum computers exhibiting the M{\o}lmer-S{\o}rensen (MS) gate. Such operators commonly arise in the study of static and dynamic properties in…

Quantum Physics · Physics 2026-04-14 Thierry N. Kaldenbach , Erik Schultheis , Niklas Stewen , Gabriel Breuil

We provide fast algorithms for simulating many body Fermi systems on a universal quantum computer. Both first and second quantized descriptions are considered, and the relative computational complexities are determined in each case. In…

Quantum Physics · Physics 2009-10-30 Daniel S. Abrams , Seth Lloyd

Simulation of quantum systems is expected to be one of the most important applications of quantum computing, with much of the theoretical work so far having focused on fermionic and spin-$\frac{1}{2}$ systems. Here, we instead consider…

Quantum simulations are bound to be one of the main applications of near-term quantum computers. Quantum chemistry and condensed matter physics are expected to benefit from these technological developments. Several quantum simulation…

Quantum Physics · Physics 2018-01-04 Pierre-Luc Dallaire-Demers , Jonathan Romero , Libor Veis , Sukin Sim , Alán Aspuru-Guzik

Preserving spin symmetry in variational quantum algorithms is essential for producing physically meaningful electronic wavefunctions. Implementing spin-adapted transformations on quantum hardware, however, is challenging because the…

Quantum Physics · Physics 2026-05-04 Paarth Jain , Artur F. Izmaylov , Erik R. Kjellgren

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

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…

We significantly enhance the simulation accuracy of initial Trotter circuits for Hamiltonian simulation of quantum systems by integrating first-order Riemannian optimization with tensor network methods. Unlike previous approaches, our…

Quantum Physics · Physics 2025-12-30 Isabel Nha Minh Le , Shuo Sun , Christian B. Mendl

We discuss encodings of fermionic many-body systems by qubits in the presence of symmetries. Such encodings eliminate redundant degrees of freedom in a way that preserves a simple structure of the system Hamiltonian enabling quantum…

Quantum Physics · Physics 2017-01-31 Sergey Bravyi , Jay M. Gambetta , Antonio Mezzacapo , Kristan Temme
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