Davide Castaldo, Soran Jahangiri, Agostino Migliore, Juan Miguel Arrazola and Stefano Corni
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A differentiable quantum phase estimation algorithm
The simulation of electronic properties is a pivotal issue in modern electronic structure theory, driving significant efforts over the past decades to develop protocols for computing energy derivatives. In this work, we address this problem by developing a strategy to integrate the quantum phase estimation algorithm within a fully differentiable framework. This is accomplished by devising a smooth estimator able to tackle arbitrary initial states. We provide analytical expressions to characterize the statistics and algorithmic cost of this estimator. Furthermore, we provide numerical evidence that the estimation accuracy is retained when an arbitrary state is considered and that it exceeds the one of standard majority rule. We explicitly use this procedure to estimate chemically relevant quantities, demonstrating our approach through ground-state and triplet excited state geometry optimization with simulations involving up to 19 qubits. This work paves the way for new quantum algorithms that combine interference methods and quantum differentiable programming.
期刊介绍:
Driven by advances in technology and experimental capability, the last decade has seen the emergence of quantum technology: a new praxis for controlling the quantum world. It is now possible to engineer complex, multi-component systems that merge the once distinct fields of quantum optics and condensed matter physics.
Quantum Science and Technology is a new multidisciplinary, electronic-only journal, devoted to publishing research of the highest quality and impact covering theoretical and experimental advances in the fundamental science and application of all quantum-enabled technologies.