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Dissipation-Assisted Matrix Product Factorization.

Alejandro D Somoza1, Oliver Marty1, James Lim1

  • 1Institut für Theoretische Physik and IQST, Albert-Einstein-Allee 11, Universität Ulm, D-89069 Ulm, Germany.

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|October 2, 2019
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Summary
This summary is machine-generated.

A new method called dissipation-assisted matrix product factorization (DAMPF) enables long-time simulations of complex organic materials. This computational advance overcomes entanglement limitations, facilitating research in quantum biology and photovoltaics.

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Area of Science:

  • Computational Physics
  • Quantum Chemistry
  • Materials Science

Background:

  • Charge and energy transfer in organic materials depend on electronic coupling to dissipative environments.
  • Simulating these systems is computationally intensive, often requiring coarse-graining of environmental structures.
  • Tensor network methods face limitations in accessible simulation time due to entanglement growth.

Purpose of the Study:

  • To develop a novel computational method for simulating large vibronic systems.
  • To overcome the time limitations inherent in current tensor network simulations.
  • To enable accurate, long-time simulations of complex organic materials.

Main Methods:

  • Introduced a dissipation-assisted matrix product factorization (DAMPF) method.
  • Combined tensor network representation with a pseudomode description of the environment.
  • Mapped continuous bosonic environments into damped harmonic oscillators under Lindblad damping.

Main Results:

  • DAMPF suppresses entanglement growth among oscillators, reducing the required bond dimension for accuracy.
  • The method removes the 'time-wall' limitation of existing tensor network approaches.
  • Successfully enabled long-time simulations of large vibronic systems (10-50 sites, 100-1000 modes).

Conclusions:

  • The DAMPF method significantly advances the simulation capabilities for complex vibronic systems.
  • This formalism facilitates the investigation of spatially extended systems.
  • Opens new avenues for research in quantum biology, organic photovoltaics, and quantum thermodynamics.