Carl Dukatz

Developing a systematic view of where quantum computers will outperform classical ones is important for researchers, policy makers and business leaders. But developing such a view is challenging because quantum advantage analyses depend not only on algorithm properties, but also on a host of technical characteristics (error correction, gate speeds, etc.). Because various analyses make different assumptions about these technical characteristics, it can be challenging to make comparisons across them. In this paper, we introduce an open-access web-tool designed to make such comparisons easy. Built on the framework introduced by Choi, Moses, and Thompson (2023), it calculates when quantum systems will outperform classical computers for a given algorithmic problem. These estimates can be easily updated based on various assumptions for error correction, overhead, and connectivity. Different hardware roadmaps can also be used and algorithm running times can be customized to particular applications. It can currently be accessed at https://futuretech.mit.edu/quantum-economic-advantage-calculator. This integrated prediction tool also allows us to explore which technical factors are most important for quantum ``economic" advantage (outperforming on a cost-equivalent basis). Overall, we find that for some algorithms (e.g. Shor's) the timing of advantage is quite robust, whereas for others (e.g. Grover's) it is contingent, with numerous technical characteristics substantially impacting these dates. In the paper, we discuss both why this occurs and what we can learn from it.

For decades, computational chemistry has been posited as one of the areas in which quantum computing would revolutionize. However, the algorithmic advantages that fault-tolerant quantum computers have for chemistry can be overwhelmed by other disadvantages, such as error correction, processor speed, etc. To assess when quantum computing will be disruptive to computational chemistry, we compare a wide range of classical methods to quantum computational methods by extending the framework proposed by Choi, Moses, and Thompson. Our approach accounts for the characteristics of classical and quantum algorithms, and hardware, both today and as they improve. We find that in many cases, classical computational chemistry methods will likely remain superior to quantum algorithms for at least the next couple of decades. Nevertheless, quantum computers are likely to make important contributions in two important areas. First, for simulations with tens or hundreds of atoms, highly accurate methods such as Full Configuration Interaction are likely to be surpassed by quantum phase estimation in the coming decade. Secondly, in cases where quantum phase estimation is most efficient less accurate methods like Couple Cluster and Moller-Plesset, could be surpassed in fifteen to twenty years if the technical advancements for quantum computers are favorable. Overall, we find that in the next decade or so, quantum computing will be most impactful for highly accurate computations with small to medium-sized molecules, whereas classical computers will likely remain the typical choice for calculations of larger molecules.