Quantum-Classical Computing for Time-Dependent Ion-Atom Collision Dynamics: Applications to Charge Transfer Cross Section Simulations
arXiv:2506.19374 · doi:10.1103/p78c-9rxb
Abstract
The simulation of ion-atom collisions remains a formidable challenge due to the complex interplay between electronic and nuclear degrees of freedom. We present a hybrid quantum-classical computing framework for simulating time-dependent ion-atom collision dynamics, within which two variational quantum time evolution algorithms are implemented. To validate our framework, we simulate the charge transfer dynamics and compute the corresponding cross sections for the proton-hydrogen collision system across an energy range of 1--25~keV. Our results accurately reproduce the charge transfer dynamics with high fidelity and exhibit very good agreement with available experimental and theoretical cross section data across the entire energy range. These results highlight the accuracy and applicability of our hybrid quantum-classical framework for scattering cross section calculations. Our work demonstrates an effective approach for mapping time-dependent many-body collision problems onto near-term quantum computing devices, and also provides promising directions for practical applications of universal quantum computing in the noisy intermediate-scale quantum era.
17 pages, 7 figures
References in corpus (59)
- Quantum Computing in the NISQ era and beyond
- Supplementary information for "Quantum supremacy using a programmable superconducting processor"
- A variational eigenvalue solver on a quantum processor
- Quantum algorithm for solving linear systems of equations
- The theory of variational hybrid quantum-classical algorithms
- QuTiP: An open-source Python framework for the dynamics of open quantum systems
- Floquet Topological Insulator in Semiconductor Quantum Wells
- Noisy intermediate-scale quantum (NISQ) algorithms
- Quantum computational chemistry
- Quantum Chemistry in the Age of Quantum Computing
- Superconducting Qubits: Current State of Play
- The Variational Quantum Eigensolver: a review of methods and best practices
- Fermionic quantum computation
- Floquet Engineering of Quantum Materials
- Exploring the many-body localization transition in two dimensions
- Quantum algorithms for quantum chemistry and quantum materials science
- Efficient variational quantum simulator incorporating active error minimisation
- The Bravyi-Kitaev transformation for quantum computation of electronic structure
- Hybrid quantum-classical algorithms and quantum error mitigation
- Deep neural network solution of the electronic Schrödinger equation
- Theory of variational quantum simulation
- Cloud Quantum Computing of an Atomic Nucleus
- Low Depth Quantum Simulation of Electronic Structure
- Probing Slow Relaxation and Many-Body Localization in Two-Dimensional Quasi-Periodic Systems
- Quantum Computing for High-Energy Physics: State of the Art and Challenges. Summary of the QC4HEP Working Group
- The prospects of quantum computing in computational molecular biology
- Resource-Efficient Quantum Algorithm for Protein Folding
- Performance of hybrid quantum/classical variational heuristics for combinatorial optimization
- IBM Quantum Computers: Evolution, Performance, and Future Directions
- Methodology for replacing indirect measurements with direct measurements
- A comparison of the Bravyi-Kitaev and Jordan-Wigner transformations for the quantum simulation of quantum chemistry
- Noisy intermediate-scale quantum computers
- Adaptive Variational Quantum Dynamics Simulations
- Measurement reduction in variational quantum algorithms
- Error-transparent operations on a logical qubit protected by quantum error correction
- Theoretical methods for ultrastrong light-matter interactions
- Projective Hilbert space structures at exceptional points
- Time-dependent optimized coupled-cluster method for multielectron dynamics
- Quantum Computing for Molecular Biology
- Biology and medicine in the landscape of quantum advantages
- Simulating Quantum Materials with Digital Quantum Computers
- Variational Quantum Eigensolver for Frustrated Quantum Systems
- Iterative Quantum Assisted Eigensolver
- Equilibration Dynamics of Strongly Interacting Bosons in 2D Lattices with Disorder
- Boost-invariant mean field approximation and the nuclear Landau-Zener effect
- Quantum Simulation of Nuclear Inelastic Scattering
- Computation of molecular excited states on IBM quantum computers using a discriminative variational quantum eigensolver
- Variational quantum eigensolver techniques for simulating carbon monoxide oxidation
- Local-in-time error in variational quantum dynamics
- Generalized Quantum Assisted Simulator
- Variational Quantum Time Evolution without the Quantum Geometric Tensor
- Error Bounds for Variational Quantum Time Evolution
- Electronic Structure Calculations using Quantum Computing
- Quantum Simulations of Chemistry in First Quantization with any Basis Set
- Observation of topological prethermal strong zero modes
- Fast Partitioning of Pauli Strings into Commuting Families for Optimal Expectation Value Measurements of Dense Operators
- Ultrastrong time-dependent light-matter interactions are gauge-relative
- Two-dimensional coherent spectrum of high-spin models via a quantum computing approach
- Adaptive variational quantum dynamics simulations with compressed circuits and fewer measurements