Efficient quantum computation of molecular forces and other energy gradients

HIGHLIGHTS

• who: Thomas E. O`Brien from the Google Research, Venice, California, USAColumbia University have published the research: Efficient quantum computation of molecular forces and other energy gradients, in the Journal: (JOURNAL) of 26/Dec/2022
• what: Under cost models appropriate for noisy-intermediate scale quantum devices the authors demonstrate how low-rank factorization and other tomography schemes can be optimized for energy derivative calculations. In the context of fault-tolerant algorithms the authors develop new methods of estimating energy derivatives with Heisenberg limited scaling incorporating state-of-the-art techniques for block encoding fermionic operators . . .
  

   

  

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