Abstract
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.
Highlights
Welcome quantum computer programmer! JAQAL, an acryonym for Just AnotherQuantum Assembly Language, is a quantum assembly language that was “designed by quantum information scientists, for quantum information scientists.” Due to this, JAQAL enables scientists to explore near-term quantum testbeds using language constructs that make explicit connections to hardware primitives
JAQAL was developed within the QSCOUT (Quantum Scientific Computing Open User Testbed) project at Sandia National Laboratories
The JAQALPAQ-EXTRAS package provides methods for parsing and transpiling quantum assembly code written in other languages into JAQAL circuit objects relevant for the QSCOUT platform
Summary
Quantum Assembly Language, is a quantum assembly language that was “designed by quantum information scientists, for quantum information scientists.” Due to this, JAQAL enables scientists to explore near-term quantum testbeds using language constructs that make explicit connections to hardware primitives. While programmers can code directly in JAQAL if they wish to do so, it can be more convenient to use the associated python JAQALPAQ meta-programming package instead. Programmers who have experience with other quantum assembly languages may want to use the JAQALPAQ-EXTRAS python package. The JAQALPAQ-EXTRAS package provides methods for parsing and transpiling quantum assembly code written in other languages into JAQAL circuit objects relevant for the QSCOUT platform. These three programs each estimate the ground-state energy of a small molecule using the VQE algorithm [3,4,5]. These simulations are not prohibitively intensive, taking on the order of an hour to run on a modern laptop
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