相关论文: Does the full configuration interaction method bas…
The quantum-selected configuration interaction (QSCI) method is a promising approach for large-scale quantum chemical calculations on currently available quantum hardware. However, its naive implementation lacks size consistency, which is…
The variational quantum eigensolver (VQE) has emerged as one of the most promising near-term quantum algorithms that can be used to simulate many-body systems such as molecular electronic structures. Serving as an attractive ansatz in the…
We study the behavior of errors in the quantum simulation of spin systems with long-range multi-body interactions resulting from the Trotter-Suzuki decomposition of the time-evolution operator. We identify a regime where the Floquet…
The fragment molecular orbital (FMO) scheme is one of the popular fragmentation-based methods and has the potential advantage of making the circuit flat in quantum chemical calculations on quantum computers. In this study, we used a…
A fundamental challenge in digital quantum simulation (DQS) is the control of inherent errors. These appear when discretizing the time evolution generated by the Hamiltonian of a quantum many-body system as a sequence of quantum gates,…
Hybrid quantum-classical algorithms have begun to leverage quantum devices to efficiently represent many-electron wavefunctions, enabling early demonstrations of molecular simulations on real hardware. A key prerequisite for scalable…
Quantum simulation of molecular electronic structure is one of the most promising applications of quantum computing. However, achieving chemically accurate predictions for strongly correlated systems requires quantum phase estimation (QPE)…
We numerically investigate quantum circuit elementary-gate level instantiations of the standard Quantum Phase Estimation (QPE) algorithm for the task of computing the ground-state energy of a quantum magnet; the disordered fully-connected…
We consider Hamiltonian simulation using the first order Lie-Trotter product formula under the assumption that the initial state has a high overlap with an energy eigenstate, or a collection of eigenstates in a narrow energy band. This…
The extent to which quantum computers can simulate physical phenomena and solve the partial differential equations (PDEs) that govern them remains a central open question. In this work, one of the most fundamental PDEs is addressed: the…
Trotter-Suzuki decompositions are frequently used in the quantum simulation of quantum chemistry. They transform the evolution operator into a form implementable on a quantum device, while incurring an error---the Trotter error. The Trotter…
Quantum Phase Estimation (QPE) is a cornerstone algorithm for fault-tolerant quantum computation, especially for electronic structure calculations of chemical systems. To accommodate the diverse characteristics of quantum chemical systems,…
In designing quantum control, it is generally required to simulate the controlled system evolution with a classical computer. However, computing the time evolution operator can be quite resource-consuming since the total Hamiltonian is…
Accurate computation of non-covalent, intermolecular interaction energies is important to understand various chemical phenomena, and quantum computers are anticipated to accelerate it. Although the state-of-the-art quantum computers are…
Trotter decomposition is the basis of the digital quantum simulation. Asymmetric and symmetric decompositions are used in our GPU demonstration of the digital adiabatic quantum simulations of $2+1$ dimensional quantum $\mathbb{Z}_2$ lattice…
Quantum chemistry is envisioned as an early and disruptive application for quantum computers. Yet, closer scrutiny of the proposed algorithms shows that there are considerable difficulties along the way. Here, we propose two criteria for…
Digital quantum simulation relies on Trotterization to discretize time evolution into elementary quantum gates. On current quantum processors with notable gate imperfections, there is a critical tradeoff between improved accuracy for finer…
Entanglement is considered to be one of the primary reasons for why quantum algorithms are more efficient than their classical counterparts for certain computational tasks. The global multipartite entanglement of the multiqubit states in…
We study a variation of the Trotter-Suzuki decomposition, in which a Hamiltonian exponential is approximated by an ordered product of two-qubit operator exponentials such that the Trotter step size is enhanced for a small number of terms.…
Adiabatic quantum computing is a general framework for preparing eigenstates of Hamiltonians on quantum devices. However, its digital implementation requires an efficient Hamiltonian simulation subroutine, which may introduce extra…