Notebooks outlining how to reproduce the results of Unbiasing fermionic quantum Monte Carlo with a quantum computer.
Quantum Monte Carlo methods are a class of classical algorithms that can offer
an efficient solution to the many-electron schroedinger equation but are plagued
by the fermion sign problem. Typically, a constraint is introduced to overcome
this problem at the cost of introducing an uncontrolled bias in the results. In
this paper, it was shown that a quantum computer could be used to prepare
complicated trial wavefunctions in order to unbias the classical results.
Code Overview
The Code Overview notebook introduces the basic structure of the code provided in recirq to generate the trial wavefunction's prepare in the QCQMC paper.
End-to-End
The End-to-End notebook provides and end-to-end example for the H4 molecule and interfaces with ipie to produce numbers similar to those reported in the QCQMC paper.
Experimental Wavefunctions
The Experimental Wavefunctions notebook demonstrates how to download and analyze the experimental wavefunctions, which can reproduce the results in QCQMC.