Experimental Quantum Simulation of Chemical Dynamics

• URL: http://arxiv.org/abs/2409.04044v3
• Date: Sun, 18 May 2025 23:44:08 GMT
• Title: Experimental Quantum Simulation of Chemical Dynamics
• Authors: T. Navickas, R. J. MacDonell, C. H. Valahu, V. C. Olaya-Agudelo, F. Scuccimarra, M. J. Millican, V. G. Matsos, H. L. Nourse, A. D. Rao, M. J. Biercuk, C. Hempel, I. Kassal, T. R. Tan,
• Abstract summary: Quantum computers promise efficient chemical simulation, but the existing quantum algorithms require many logical qubits and gates.<n>Here, we carry out the first quantum simulations of chemical dynamics by employing a more hardware-efficient encoding scheme.<n>Our trapped-ion device accurately simulates the dynamics of non-adiabatic chemical processes.
• Score: 0.0
• License: http://arxiv.org/licenses/nonexclusive-distrib/1.0/
• Abstract: Accurate simulation of dynamical processes in molecules and reactions is among the most challenging problems in quantum chemistry. Quantum computers promise efficient chemical simulation, but the existing quantum algorithms require many logical qubits and gates, placing practical applications beyond existing technology. Here, we carry out the first quantum simulations of chemical dynamics by employing a more hardware-efficient encoding scheme that uses both qubits and bosonic degrees of freedom. Our trapped-ion device accurately simulates the dynamics of non-adiabatic chemical processes, which are among the most difficult problems in computational chemistry because they involve strong coupling between electronic and nuclear motions. We demonstrate the programmability and versatility of our approach by simulating the dynamics of three different molecules as well as open-system dynamics in the condensed phase, all with the same quantum resources. Our approach requires orders of magnitude fewer resources than equivalent qubit-only quantum simulations, demonstrating the potential of using hybrid encoding schemes to accelerate quantum simulations of complex chemical processes, which could have applications in fields ranging from energy conversion and storage to biology and drug design.

Related papers

• A comprehensive framework to simulate real-time chemical dynamics on a fault-tolerant quantum computer [0.0]
  We present an end-to-end framework for simulating the real-time dynamics of chemical systems on a quantum computer. A first-quantized plane-wave algorithm making use of pseudoions consolidates chemically inactive electrons and the nucleus into a single ionic entity. We provide an extensive analysis of the cost of running the algorithm on a fault-tolerant quantum computer for several chemically interesting systems.
  arXiv  Detail & Related papers  (2025-04-08T18:00:11Z)
• Simulating Non-Markovian Quantum Dynamics on NISQ Computers Using the Hierarchical Equations of Motion [0.0]
  We introduce a quantum algorithm designed to simulate non-Markovian dynamics of open quantum systems.<n>Our approach enables the implementation of arbitrary quantum master equations on noisy intermediate-scale quantum computers.
  arXiv  Detail & Related papers  (2024-11-18T20:41:10Z)
• Parallel Quantum Computing Simulations via Quantum Accelerator Platform Virtualization [44.99833362998488]
  We present a model for parallelizing simulation of quantum circuit executions. The model can take advantage of its backend-agnostic features, enabling parallel quantum circuit execution over any target backend.
  arXiv  Detail & Related papers  (2024-06-05T17:16:07Z)
• Solving reaction dynamics with quantum computing algorithms [42.408991654684876]
  We study quantum algorithms for response functions, relevant for describing different reactions governed by linear response.<n>We focus on nuclear-physics applications and consider a qubit-efficient mapping on the lattice, which can efficiently represent the large volumes required for realistic scattering simulations.
  arXiv  Detail & Related papers  (2024-03-30T00:21:46Z)
• Towards Quantum Dynamics Simulation of Physical Systems: A Survey [0.2454454561635539]
  We talk about the progress that has been made in the field of quantum simulations by actual quantum computing hardware. We also review different software tool-sets available to date, which are to lay the foundation for realising quantum simulations.
  arXiv  Detail & Related papers  (2023-10-18T08:45:35Z)
• Differentiable matrix product states for simulating variational quantum computational chemistry [6.954927515599816]
  We propose a parallelizable classical simulator for variational quantum eigensolver(VQE) Our simulator seamlessly integrates the quantum circuit evolution into the classical auto-differentiation framework. As applications, we use our simulator to study commonly used small molecules such as HF, LiH and H$$O, as well as larger molecules CO$$, BeH$ and H$_4$ with up to $40$ qubits.
  arXiv  Detail & Related papers  (2022-11-15T08:36:26Z)
• Recompilation-enhanced simulation of electron-phonon dynamics on IBM Quantum computers [62.997667081978825]
  We consider the absolute resource cost for gate-based quantum simulation of small electron-phonon systems. We perform experiments on IBM quantum hardware for both weak and strong electron-phonon coupling. Despite significant device noise, through the use of approximate circuit recompilation we obtain electron-phonon dynamics on current quantum computers comparable to exact diagonalisation.
  arXiv  Detail & Related papers  (2022-02-16T19:00:00Z)
• An Algebraic Quantum Circuit Compression Algorithm for Hamiltonian Simulation [55.41644538483948]
  Current generation noisy intermediate-scale quantum (NISQ) computers are severely limited in chip size and error rates. We derive localized circuit transformations to efficiently compress quantum circuits for simulation of certain spin Hamiltonians known as free fermions. The proposed numerical circuit compression algorithm behaves backward stable and scales cubically in the number of spins enabling circuit synthesis beyond $mathcalO(103)$ spins.
  arXiv  Detail & Related papers  (2021-08-06T19:38:03Z)
• Holographic dynamics simulations with a trapped ion quantum computer [0.0]
  We demonstrate and benchmark a new scalable quantum simulation paradigm. Using a Honeywell trapped ion quantum processor, we simulate the non-integrable dynamics of the self-dual kicked Ising model. Results suggest that quantum tensor network methods, together with state-of-the-art quantum processor capabilities, enable a viable path to practical quantum advantage in the near term.
  arXiv  Detail & Related papers  (2021-05-19T18:00:02Z)
• Molecular spin qudits for quantum simulation of light-matter interactions [62.223544431366896]
  We show that molecular spin qudits provide an ideal platform to simulate the quantum dynamics of photon fields strongly interacting with matter. The basic unit of the proposed molecular quantum simulator can be realized by a simple dimer of a spin 1/2 and a spin $S$ transition metal ion, solely controlled by microwave pulses.
  arXiv  Detail & Related papers  (2021-03-17T15:03:12Z)
• Simulating Energy Transfer in Molecular Systems with Digital Quantum Computers [8.271013526496906]
  Quantum computers have the potential to simulate chemical systems beyond the capability of classical computers. We extend near-term quantum simulations of chemistry to time-dependent processes by simulating energy transfer in organic semiconducting molecules. Our approach opens up new opportunities for modeling quantum dynamics in chemical, biological and material systems with quantum computers.
  arXiv  Detail & Related papers  (2021-01-18T05:08:05Z)
• Quantum walk processes in quantum devices [55.41644538483948]
  We study how to represent quantum walk on a graph as a quantum circuit. Our approach paves way for the efficient implementation of quantum walks algorithms on quantum computers.
  arXiv  Detail & Related papers  (2020-12-28T18:04:16Z)
• Quantum Phases of Matter on a 256-Atom Programmable Quantum Simulator [41.74498230885008]
  We demonstrate a programmable quantum simulator based on deterministically prepared two-dimensional arrays of neutral atoms. We benchmark the system by creating and characterizing high-fidelity antiferromagnetically ordered states. We then create and study several new quantum phases that arise from the interplay between interactions and coherent laser excitation.
  arXiv  Detail & Related papers  (2020-12-22T19:00:04Z)
• Engineering analog quantum chemistry Hamiltonians using cold atoms in optical lattices [69.50862982117127]
  We benchmark the working conditions of the numerically analog simulator and find less demanding experimental setups. We also provide a deeper understanding of the errors of the simulation appearing due to discretization and finite size effects.
  arXiv  Detail & Related papers  (2020-11-28T11:23:06Z)
• Digital Quantum Simulation of Non-Equilibrium Quantum Many-Body Systems [0.0]
  Digital quantum simulation uses the capabilities of quantum computers to determine the dynamics of quantum systems. Here we use the IBM quantum computers to simulate the non-equilibrium dynamics of few spin and fermionic systems.
  arXiv  Detail & Related papers  (2020-09-15T22:29:04Z)
• Digital quantum simulation framework for energy transport in an open quantum system [1.9551668880584971]
  Digital quantum simulations offer greater universality and flexibility over analog simulations. We give a theoretical framework for digital quantum simulation of ENAQT by introducing new quantum evolution operators. We simulate the FMO complex in the digital setting, reproducing theoretical and experimental evidence of the dynamics.
  arXiv  Detail & Related papers  (2020-06-25T02:12:11Z)
• Quantum Simulation of 2D Quantum Chemistry in Optical Lattices [59.89454513692418]
  We propose an analog simulator for discrete 2D quantum chemistry models based on cold atoms in optical lattices. We first analyze how to simulate simple models, like the discrete versions of H and H$+$, using a single fermionic atom. We then show that a single bosonic atom can mediate an effective Coulomb repulsion between two fermions, leading to the analog of molecular Hydrogen in two dimensions.
  arXiv  Detail & Related papers  (2020-02-21T16:00:36Z)

This list is automatically generated from the titles and abstracts of the papers in this site.

This site does not guarantee the quality of this site (including all information) and is not responsible for any consequences.