English
Related papers

Related papers: Compact Molecular Simulation on Quantum Computers …

200 papers

We use the variational quantum eigensolver (VQE) to simulate Kitaev spin models with and without integrability breaking perturbations, focusing in particular on the honeycomb and square-octagon lattices. These models are well known for…

Accurate determination of ground-state energies for molecules remains a challenge in quantum chemistry and a cornerstone for progress in fields such as drug discovery and materials design. The Variational Quantum Eigensolver (VQE)…

A central challenge in quantum simulation is to prepare low-energy states of strongly interacting many-body systems. In this work, we study the problem of preparing a quantum state that optimizes a random all-to-all, sparse or dense, spin…

Quantum Physics · Physics 2024-11-06 Joao Basso , Chi-Fang Chen , Alexander M. Dalzell

In this paper, we present a new set of local fermion-to-qudit mappings for simulating fermionic lattice systems. We focus on the use of multi-level qudits, specifically ququarts. Traditional mappings, such as the Jordan-Wigner…

Quantum Physics · Physics 2025-09-24 Rodolfo Carobene , Stefano Barison , Andrea Giachero , Jannes Nys

Electronic structure simulation is an anticipated application for quantum computers. Due to high-dimensional quantum entanglement in strongly correlated systems, the quantum resources required to perform such simulations are far beyond the…

Quantum Physics · Physics 2022-01-25 Jie Liu , Zhenyu Li , Jinlong Yang

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

Near-term quantum simulators are mostly based on qubit-based architectures. However, their imperfect nature significantly limits their practical application. The situation is even worse for simulating fermionic systems, which underlie most…

Quantum Physics · Physics 2023-11-29 Qingyu Li , Chiranjib Mukhopadhyay , Abolfazl Bayat

We show how to apply the quantum adiabatic algorithm directly to the quantum computation of molecular properties. We describe a procedure to map electronic structure Hamiltonians to 2-local qubit Hamiltonians with a small set of physically…

Quantum Physics · Physics 2015-02-20 Ryan Babbush , Peter J. Love , Alán Aspuru-Guzik

Fermion-to-qubit mappings play a crucial role in representing fermionic interactions on a quantum computer. Efficient mappings translate fermionic modes of a system to qubit interactions with a high degree of locality while using few…

Quantum Physics · Physics 2024-09-12 Oliver O'Brien , Sergii Strelchuk

Simulation of interacting fermionic Hamiltonians is one of the most promising applications of quantum computers. However, the feasibility of analysing fermionic systems with a quantum computer hinges on the efficiency of fermion-to-qubit…

Quantum Physics · Physics 2025-10-27 Jeffery Yu , Yuan Liu , Sho Sugiura , Troy Van Voorhis , Sina Zeytinoğlu

It is proposed to map the quantum information qubit not to individual spin 1/2 states, but to the collective spin states being eigenfunctions of the Hamiltonian including spin-spin interactions, which may be not small. Such an approach…

Quantum Physics · Physics 2007-05-23 A. R. Kessel

Many-body fermionic quantum calculations performed on analog quantum computers are restricted by the presence of k-local terms, which represent interactions among more than two qubits. These originate from the fermion-to-qubit mapping…

Efficient encoding of electronic operators into qubits is essential for quantum chemistry simulations. The majority of methods map single electron states to qubits, effectively handling electron interactions. Alternatively, pairs of…

Quantum Physics · Physics 2025-09-09 Francisco Javier Del Arco Santos , Jakob S. Kottmann

We present an efficient quantum algorithm for preparing a pure state on a quantum computer, where the quantum state corresponds to that of a molecular system with a given number $m$ of electrons occupying a given number $n$ of spin…

Quantum Physics · Physics 2009-05-01 Hefeng Wang , S. Ashhab , Franco Nori

Representations of quantum computations are almost always based on a tensor product $\otimes$-structure. This coincides with what we are able to execute in our experiments, as well as what we observe in Nature, but it makes certain familiar…

Quantum Physics · Physics 2021-11-05 Luca Mondada

Quantum simulation of the interactions of fermions and bosons -- the fundamental particles of nature -- is essential for modeling complex quantum systems in material science, chemistry and high-energy physics and has been proposed as a…

Molecular quantum simulations with the variational quantum eigensolver (VQE) rely on ansatz states that approximate the molecular ground states. These ansatz states are generally defined by parametrized fermionic excitation operators and an…

Quantum Physics · Physics 2021-01-04 Yordan S. Yordanov , David R. M. Arvidsson-Shukur , Crispin H. W. Barnes

We consider the preparation of all the eigenstates of spin chains using quantum circuits. It is known that generic eigenstates of free-fermionic spin chains can be prepared with circuits whose depth grows only polynomially with the length…

Quantum Physics · Physics 2025-09-16 Roberto Ruiz , Alejandro Sopena , Balázs Pozsgay , Esperanza López

Variational quantum algorithms are promising applications of noisy intermediate-scale quantum (NISQ) computers. These algorithms consist of a number of separate prepare-and-measure experiments that estimate terms in a Hamiltonian. The…

Quantum Physics · Physics 2020-06-25 Andrew Zhao , Andrew Tranter , William M. Kirby , Shu Fay Ung , Akimasa Miyake , Peter Love