Fig. 3: The deployment strategy of QA in QALO.
For each calling of QA, the EPI energy model obtained from FFM coefficients, and the initial composition of the current iteration are passed to the QA module. Then, a series of hQUBO ℋi is constructed based on the EPI energy model with different assignment constraints from loose to tight. D-Wave quantum annealer will return optimal configurations Si for the current hQUBO and pass the composition information of the optimal solution to the next hQUBO construction. Finally, the QA module returns both optimal elemental composition and atomic configurations.
