Multi-set variational quantum dynamics algorithm for simulating nonadiabatic dynamics on quantum computers

• URL: http://arxiv.org/abs/2503.07388v1
• Date: Mon, 10 Mar 2025 14:37:26 GMT
• Title: Multi-set variational quantum dynamics algorithm for simulating nonadiabatic dynamics on quantum computers
• Authors: Jingjing Li, Weitang Li, Xiaoxiao Xiao, Limin Liu, Zhendong Li, Jiajun Ren, Weihai Fang,
• Abstract summary: We propose a multi-set variational quantum dynamics algorithm (MS-VQD) tailored for nonadiabatic dynamics involving multiple electronic states.<n>MS-VQD achieves the same accuracy as traditional VQD while requiring significantly shallower PQCs.<n> Notably, its advantage increases with the number of electronic states, making it suitable for simulating nonadiabatic quantum dynamics in complex molecular systems.
• Score: 8.207042442526095
• License: http://arxiv.org/licenses/nonexclusive-distrib/1.0/
• Abstract: Accelerating quantum dynamical simulations with quantum computing has received considerable attention but remains a significant challenge. In variational quantum algorithms for quantum dynamics, designing an expressive and shallow-depth parameterized quantum circuit (PQC) is a key difficulty. Here, we proposed a multi-set variational quantum dynamics algorithm (MS-VQD) tailored for nonadiabatic dynamics involving multiple electronic states. MS-VQD employs multiple PQCs to represent the electronic-nuclear coupled wavefunction, with each circuit adapting to the motion of nuclear wavepacket on a specific potential energy surface. By simulating excitation energy transfer dynamics in molecular aggregates described by the Frenkel-Holstein model, we demonstrated that MS-VQD achieves the same accuracy as traditional VQD while requiring significantly shallower PQCs. Notably, its advantage increases with the number of electronic states, making it suitable for simulating nonadiabatic quantum dynamics in complex molecular systems.

Related papers

• Design and Benchmarks for Emulating Kondo Dynamics on a Quantum Chip [0.0]
  We numerically determine the impurity magnetization, entanglement between impurity and fermionic sites and energy as a function of time.<n>This work opens up the perspective of studying the dynamics of electronic quantum many-body states on quantum chips of the NISQ era.
  arXiv  Detail & Related papers  (2025-01-15T00:28:13Z)
• 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)
• Benchmarking Variational Quantum Eigensolvers for Entanglement Detection in Many-Body Hamiltonian Ground States [37.69303106863453]
  Variational quantum algorithms (VQAs) have emerged in recent years as a promise to obtain quantum advantage. We use a specific class of VQA named variational quantum eigensolvers (VQEs) to benchmark them at entanglement witnessing and entangled ground state detection. Quantum circuits whose structure is inspired by the Hamiltonian interactions presented better results on cost function estimation than problem-agnostic circuits.
  arXiv  Detail & Related papers  (2024-07-05T12:06:40Z)
• 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)
• Simulating electronic structure on bosonic quantum computers [34.84696943963362]
  We propose an approach to map the electronic Hamiltonian into a qumode bosonic problem that can be solved on bosonic quantum devices.<n>This work establishes a new pathway for simulating many-fermion systems, highlighting the potential of hybrid qubit-qumode quantum devices.
  arXiv  Detail & Related papers  (2024-04-16T02:04:11Z)
• 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)
• Ab-initio variational wave functions for the time-dependent many-electron Schrödinger equation [41.94295877935867]
  We introduce a variational approach for fermionic time-dependent wave functions, surpassing mean-field approximations. We use time-dependent Jastrow factors and backflow transformations, which are enhanced through neural networks parameterizations. The results showcase the ability of our variational approach to accurately capture the time evolution, providing insight into the quantum dynamics of interacting electronic systems.
  arXiv  Detail & Related papers  (2024-03-12T09:37:22Z)
• Universality of critical dynamics with finite entanglement [68.8204255655161]
  We study how low-energy dynamics of quantum systems near criticality are modified by finite entanglement. Our result establishes the precise role played by entanglement in time-dependent critical phenomena.
  arXiv  Detail & Related papers  (2023-01-23T19:23:54Z)
• Tensor-Train Thermo-Field Memory Kernels for Generalized Quantum Master Equations [0.0]
  This paper focuses on benchmark quantum simulations of electronic dynamics in a spin-boson model system described by various types of GQMEs. Exact memory kernels and inhomogeneous terms are obtained from short-time quantum-mechanically exact tensor-train thermo-field dynamics (TT-TFD) simulations. The TT-TFD memory kernels provide insights on the main sources of inaccuracies of GQME approaches when combined with approximate input methods and pave the road for development of quantum circuits that could implement GQMEs on digital quantum computers.
  arXiv  Detail & Related papers  (2022-08-30T13:52:08Z)
• Implementation of a two-stroke quantum heat engine with a collisional model [50.591267188664666]
  We put forth a quantum simulation of a stroboscopic two-stroke thermal engine in the IBMQ processor. The system consists of a quantum spin chain connected to two baths at their boundaries, prepared at different temperatures using the variational quantum thermalizer algorithm.
  arXiv  Detail & Related papers  (2022-03-25T16:55:08Z)
• 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)
• Quantum algorithms for quantum dynamics: A performance study on the spin-boson model [68.8204255655161]
  Quantum algorithms for quantum dynamics simulations are traditionally based on implementing a Trotter-approximation of the time-evolution operator. variational quantum algorithms have become an indispensable alternative, enabling small-scale simulations on present-day hardware. We show that, despite providing a clear reduction of quantum gate cost, the variational method in its current implementation is unlikely to lead to a quantum advantage.
  arXiv  Detail & Related papers  (2021-08-09T18:00:05Z)
• 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)

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.