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Chemically Motivated Simulation Problems are Efficiently Solvable by a Quantum Computer
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DOI：10.1039/D5DD00377F.png)
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Abstract
En 中文
Simulating chemical systems is highly sought after and computationally challenging; as the number of degrees of freedom increases exponentially with the size of the system. Quantum computers have been proposed as a computational means to overcome this bottleneck ; thanks to their capability of representing this amount of information efficiently. Most efforts so far have been centered around determining the ground states of chemical systems. However; hardness results and the lack of theoretical guarantees for efficient heuristics for initial-state generation shed doubt on the feasibility. Here; we propose a heuristically guided approach that is based on inherently efficient routines to solve chemical simulation problems; requiring quantum circuits of size scaling polynomially in relevant system parameters. If a set of assumptions can be satisfied; our approach finds good initial states for dynamics simulation by assembling them in a scattering tree. In particular; we investigate a scattering-based state preparation approach within the context of mergo-association. We discuss a variety of quantities of chemical interest that can be measured after the quantum simulation of a process; e.g.; a reaction; following its corresponding initial state preparation.
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