Quantum simulation of chemistry and materials is predicted to be an important application for both near-term and fault-tolerant quantum devices. However, at present, developing and studying algorithms for these problems can be difficult due to the prohibitive amount of domain knowledge required in both the area of chemistry and quantum algorithms. To help bridge this gap and open the field to more researchers, we have developed the OpenFermion software package (www.openfermion.org). OpenFermion is an open-source software library written largely in Python under an Apache 2.0 license, aimed at enabling the simulation of fermionic and bosonic models and quantum chemistry problems on quantum hardware. Beginning with an interface to common electronic structure packages, it simplifies the translation between a molecular specification and a quantum circuit for solving or studying the electronic structure problem on a
It is believed that random quantum circuits are difficult to simulate classically. These have been used to demonstrate quantum supremacy: the execution of a computational task on a quantum computer that is infeasible for any classical computer. The task underlying the assertion of quantum supremacy by Arute et al. (Nature, 574, 505-510 (2019)) was initially estimated to require Summit, the world's most powerful supercomputer today, approximately 10,000 years. The same task was performed on the Sycamore quantum processor in only 200 seconds.In this work, we present a tensor network-based classical simulation algorithm. Using a Summit-comparable cluster, we estimate that our simulator can perform this task in less than 20 days. On moderately-sized instances, we reduce the runtime from years to minutes, running several times faster than Sycamore itself. These estimates are based on explicit simulations of parallel subtasks, and leave no room for hidden costs. The simulator's key ingredient is identifying and optimizing the "stem" of the computation: a sequence of pairwise tensor contractions that dominates the computational cost. This orders-of-magnitude
We develop an algorithmic framework for contracting tensor networks and demonstrate its power by classically simulating quantum computation of sizes previously deemed out of reach. Our main contribution, index slicing, is a method that efficiently parallelizes the contraction by breaking it down into much smaller and identically structured subtasks, which can then be executed in parallel without dependencies. We benchmark our algorithm on a class of random quantum circuits, achieving greater than 105 times acceleration over the original estimate of the simulation cost. We then demonstrate applications of the simulation framework for aiding the development of quantum algorithms and quantum error correction. As tensor networks are widely used in computational science, our simulation framework may find further applications.
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