skip to main content
US FlagAn official website of the United States government
dot gov icon
Official websites use .gov
A .gov website belongs to an official government organization in the United States.
https lock icon
Secure .gov websites use HTTPS
A lock ( lock ) or https:// means you've safely connected to the .gov website. Share sensitive information only on official, secure websites.


Search for: All records

Creators/Authors contains: "Neupert, Titus"

Note: When clicking on a Digital Object Identifier (DOI) number, you will be taken to an external site maintained by the publisher. Some full text articles may not yet be available without a charge during the embargo (administrative interval).
What is a DOI Number?

Some links on this page may take you to non-federal websites. Their policies may differ from this site.

  1. Abstract Interactions between electrons and phonons play a crucial role in quantum materials. Yet, there is no universal method that would simultaneously accurately account for strong electron-phonon interactions and electronic correlations. By combining methods of the variational quantum eigensolver and the variational non-Gaussian solver, we develop a hybrid quantum-classical algorithm suitable for this type of correlated systems. This hybrid method tackles systems with arbitrarily strong electron-phonon coupling without increasing the number of required qubits and quantum gates, as compared to purely electronic models. We benchmark our method by applying it to the paradigmatic Hubbard-Holstein model at half filling, and show that it correctly captures the competition between charge density wave and antiferromagnetic phases, quantitatively consistent with exact diagonalization. 
    more » « less
  2. Variational approaches are among the most powerful techniques toapproximately solve quantum many-body problems. These encompass bothvariational states based on tensor or neural networks, and parameterizedquantum circuits in variational quantum eigensolvers. However,self-consistent evaluation of the quality of variational wavefunctionsis a notoriously hard task. Using a recently developed Hamiltonianreconstruction method, we propose a multi-faceted approach to evaluatingthe quality of neural-network based wavefunctions. Specifically, weconsider convolutional neural network (CNN) and restricted Boltzmannmachine (RBM) states trained on a square latticespin-1/2 1 / 2 J_1\!-\!J_2 J 1 J 2 Heisenberg model. We find that the reconstructed Hamiltonians aretypically less frustrated, and have easy-axis anisotropy near the highfrustration point. In addition, the reconstructed Hamiltonians suppressquantum fluctuations in the largeJ_2 J 2 limit. Our results highlight the critical importance of thewavefunction’s symmetry. Moreover, the multi-faceted insight from theHamiltonian reconstruction reveals that a variational wave function canfail to capture the true ground state through suppression of quantumfluctuations. 
    more » « less
  3. null (Ed.)