70.
We present example quantum chemistry programs written with
JaqalPaq, a python meta-programming language used to code in
Jaqal (Just Another Quantum Assembly Language). These
JaqalPaq algorithms are intended to be run on the Quantum Scientific Computing Open User Testbed (QSCOUT) platform at Sandia National Laboratories. Our exemplars use the variational quantum eigensolver (VQE) quantum algorithm to compute the ground state energies of the
,
, and
molecules. Since the exemplars focus on how to program in
JaqalPaq, the calculations of the second-quantized Hamiltonians are performed with the
PySCF python package, and the mappings of the fermions to qubits are obtained from the
OpenFermion python package. Using the emulator functionality of
JaqalPaq, we emulate how these exemplars would be executed on an error-free QSCOUT platform and compare the emulated computation of the bond-dissociation curves for these molecules with their exact forms within the relevant basis.
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