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Quantum chemistry

Teaching spin symmetry while learning neural network wave functions

By developing an efficient spin symmetry penalty, a recent study has substantially accelerated the calculation of accurate energies with correct spin states in variational Monte Carlo for both ground and excited states of quantum many-particle systems.

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Fig. 1: Spin symmetry for neural network wavefunctions.

References

  1. Li, Z. et al. Nat. Comput. Sci. https://doi.org/10.1038/s43588-024-00730-4 (2024).

    Article  Google Scholar 

  2. Carleo, G. & Troyer, M. Science 355, 602–606 (2017).

    Article  MathSciNet  Google Scholar 

  3. Hermann, J. et al. Nat. Rev. Chem. 7, 692–709 (2023).

    Article  Google Scholar 

  4. Pathak, S., Busemeyer, B., Rodrigues, J. N. & Wagner, L. K. J. Chem. Phys. 154, 034101–034108 (2021).

    Article  Google Scholar 

  5. Wanie, V. et al. Nature 630, 109–115 (2024).

    Article  Google Scholar 

  6. Pfau, D., Axelrod, S., Sutterud, H., von Glehn, I. & Spencer, J. S. Science 385, eadn0137 (2024).

    Article  Google Scholar 

  7. Stankus, B. et al. Nat. Chem. 11, 716–721 (2019).

    Article  Google Scholar 

  8. Browaeys, A. & Lahaye, T. Nat. Phys. 16, 132–142 (2020).

    Article  Google Scholar 

  9. Szabó, P. B., Schätzle, Z., Entwistle, M. T. & Noé, F. J. Chem. Theory Comput. 20, 7922–7935 (2024).

    Google Scholar 

  10. Huang, C.-J., Filippi, C. & Umrigar, C. J. Chem. Phys. 108, 8838–8847 (1998).

    Article  Google Scholar 

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Correspondence to Xiao He.

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Li, Y., Chen, Y. & He, X. Teaching spin symmetry while learning neural network wave functions. Nat Comput Sci 4, 884–885 (2024). https://doi.org/10.1038/s43588-024-00727-z

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