Work

On Performance and Limitations of Quantum Wave Packet Dynamics Simulated using NISQ Hardware

Year: 2026

Type: preprint

Abstract: We investigate one-dimensional quantum wave-packet dynamics using a grid-based encoding of the wave function onto qubit registers. Time evolution is implemented using a split operator approach, with the kinetic energy operator realized via the Quantum Fourier Transform (QFT) and arbitrary discretized potentials represented by commuting Pauli-Z gates. The algorithm is benchmarked against classical grid-based simulations and validated using a noiseless Qiskit Statevector simulator before being implemented on current quantum hardware (IBM Quantum and IonQ) for qubit counts ranging from two to five. Good agreement with benchmark calculations is obtained for two- and three-qubit implementations, while deviations increase at larger qubit counts due to hardware noise and increased circuit depth. Among the devices examined, the algorithm maintains closer agreement with the benchmark on the trapped-ion IonQ Forte processor as the number of qubits increases.

Source: arXiv (Cornell University)

DOI: 10.48550/arxiv.2605.20078

Authors: Kuanysheva, Tamila, Andrade-Plascencia, Jonathan, Sahoo, Jayakrushna, Kendrick, Brian, Babikov, Dmitri

Institutions: Marquette University, Cornell University, Los Alamos National Laboratory

Language: English

Topic: Quantum Computing Algorithms and Architecture

Subfield: Artificial Intelligence

Field: Computer Science

Domain: Physical Sciences

Open Access status: green

Funder: National Science Foundation

Award: ExpandQISE: Track 1: Quantum Molecular Dynamics on Quantum Computers

OpenAlex ID: W7161848047

Cites: 1

Cited by: 1

Related to: 10