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Quantum simulations of chemistry in first quantization offer important advantages over approaches in second quantization including faster convergence to the continuum limit and the opportunity for practical simulations outside the…

Quantum Physics · Physics 2021-12-02 Yuan Su , Dominic W. Berry , Nathan Wiebe , Nicholas Rubin , Ryan Babbush

The simulation of quantum systems is one of the flagship applications of near-term NISQ (noisy intermediate-scale quantum) computing devices. Efficiently simulating the rich, non-unitary dynamics of open quantum systems remains challenging…

Quantum Physics · Physics 2024-10-14 Colin Burdine , Enrique P. Blair

Applications of quantum simulation algorithms to obtain electronic energies of molecules on noisy intermediate-scale quantum (NISQ) devices require careful consideration of resources describing the complex electron correlation effects. In…

Quantum Physics · Physics 2020-04-17 Mekena Metcalf , Nicholas P. Bauman , Karol Kowalski , Wibe A. de Jong

Understanding which subclasses of quantum circuits are efficiently classically simulable is fundamental to delineating the boundary between classical and quantum computation. In this context, it is well known that certain tasks based on…

Quantum Physics · Physics 2026-03-16 Su Yeon Chang , Martin Larocca , M. Cerezo

Hamiltonian quantum simulation of bosons on digital quantum computers requires truncating the Hilbert space to finite dimensions. The method of truncation and the choice of basis states can significantly impact the complexity of the quantum…

Quantum Physics · Physics 2025-10-10 Masanori Hanada , Shunji Matsuura , Emanuele Mendicelli , Enrico Rinaldi

The practical use of many types of near-term quantum computers requires accounting for their limited connectivity. One way of overcoming limited connectivity is to insert swaps in the circuit so that logical operations can be performed on…

Quantum Physics · Physics 2019-05-14 Bryan O'Gorman , William J. Huggins , Eleanor G. Rieffel , K. Birgitta Whaley

Protein folding processes are a vital aspect of molecular biology that is hard to simulate with conventional computers. Quantum algorithms have been proven superior for certain problems and may help tackle this complex life science…

Quantum Physics · Physics 2024-09-11 Hanna Linn , Isak Brundin , Laura García-Álvarez , Göran Johansson

The prevalent approach to executing quantum algorithms on quantum computers is to break-down the algorithms to a concatenation of universal gates, typically single and two-qubit gates. However such a decomposition results in long gate…

Quantum Physics · Physics 2020-03-25 Yotam Shapira , Ravid Shaniv , Tom Manovitz , Nitzan Akerman , Lee Peleg , Lior Gazit , Roee Ozeri , Ady Stern

We present a general technique to implement products of many qubit operators communicating via a joint harmonic oscillator degree of freedom in a quantum computer. By conditional displacements and rotations we can implement Hamiltonians…

Quantum Physics · Physics 2009-11-06 Xiaoguang Wang , Anders Sorensen , Klaus Molmer

We present several coupled-cluster calculations of ground and excited states of 4He and 16O employing methods from quantum chemistry. A comparison of coupled cluster results with the results of exact diagonalization of the hamiltonian in…

We study the problem of simulating the time evolution of a lattice Hamiltonian, where the qubits are laid out on a lattice and the Hamiltonian only includes geometrically local interactions (i.e., a qubit may only interact with qubits in…

Quantum Physics · Physics 2021-08-24 Jeongwan Haah , Matthew B. Hastings , Robin Kothari , Guang Hao Low

In a circuit-based quantum computer, the computing is performed via the discrete-time evolution driven by quantum gates. Accurate simulation of continuoustime evolution requires a large number of quantum gates and therefore suffers from…

Quantum Physics · Physics 2026-05-11 J. L. Shen , P. Wang

The product formula, commonly known as Trotter decomposition, is a central tool for digital quantum simulation, whose performance depends critically on how the Hamiltonian is partitioned into tractable blocks. Standard decompositions…

Quantum Physics · Physics 2026-05-18 Naoki Negishi , Bo Yang

One of the key applications for quantum computers will be the simulation of other quantum systems that arise in chemistry, materials science, etc, in order to accelerate the process of discovery. It is important to ask: Can this be achieved…

Quantum Physics · Physics 2017-07-05 Ying Li , Simon C. Benjamin

Dynamic quantum simulation is a leading application for achieving quantum advantage. However, high circuit depths remain a limiting factor on near-term quantum hardware. We present a compilation algorithm based on Matrix Product Operators…

Quantum Physics · Physics 2025-07-16 Joe Gibbs , Lukasz Cincio

Quantum simulations of electronic structure with a transformed Hamiltonian that includes some electron correlation effects are demonstrated. The transcorrelated Hamiltonian used in this work is efficiently constructed classically, at…

The simulation of chemistry is among the most promising applications of quantum computing. However, most prior work exploring algorithms for block-encoding, time-evolving, and sampling in the eigenbasis of electronic structure Hamiltonians…

Reducing the complexity of quantum algorithms to treat quantum chemistry problems is essential to demonstrate an eventual quantum advantage of Noisy-Intermediate Scale Quantum (NISQ) devices over their classical counterpart. Significant…

Quantum Physics · Physics 2022-12-07 Emiel Koridon , Saad Yalouz , Bruno Senjean , Francesco Buda , Thomas E. O'Brien , Lucas Visscher

Quantum simulation uses a well-known quantum system to predict the behavior of another quantum system. Certain limitations in this technique arise, however, when applied to specific problems, as we demonstrate with a theoretical and…

Quantum Physics · Physics 2009-11-13 Kenneth R. Brown , Robert J. Clark , Isaac L. Chuang

We present a quantum algorithm for simulating the dynamics of a first-quantized Hamiltonian in real space based on the truncated Taylor series algorithm. We avoid the possibility of singularities by applying various cutoffs to the system…

Quantum Physics · Physics 2017-07-07 Ian D. Kivlichan , Nathan Wiebe , Ryan Babbush , Alan Aspuru-Guzik