Efficient algorithms for quantum chemistry on modular quantum processors

TL;DR

This paper presents a distributed quantum chemistry algorithm, dUSCC, optimized for modular quantum processors, demonstrating reduced inter-module latency impact and efficient resource utilization for chemical simulations.

Contribution

Introduction of dUSCC, a novel distributed quantum chemistry algorithm that leverages pseudo-commutativity and optimized scheduling for modular quantum architectures.

Findings

dUSCC maintains chemical accuracy with up to 20x inter-module latency.

The algorithm exploits molecular structure to reduce inter-module communication.

dUSCC can be efficiently compiled for other Trotterized algorithms.

Abstract

Quantum chemistry is a promising application of future quantum computers, but the requirements on qubit count and other resources suggest that modular computing architectures will be required. We introduce an implementation of a quantum chemistry algorithm that is distributed across several computational modules: the distributed unitary selective coupled cluster (dUSCC). We design a packing scheme using the pseudo-commutativity of Trotterization to maximize the parallelism while optimizing the scheduling of all inter-module gates around the buffering of inter-module Bell pairs. We demonstrate dUSCC on a 3-cluster (H$_4$)$_3$ chain and show that it naturally utilizes the molecule's structure to reduce inter-module latency. We show that the run time of dUSCC is unchanged with inter-module latency up to $\sim$20$\times$ slower than intra-module gates in the (H$_4$)$_3$ while maintaining chemical accuracy. dUSCC should be "free" in the weakly entangled systems, and the existence of "free" dUSCC can be found efficiently using classical algorithms. This new compilation scheme both leverages pseudo-commutativity and considers inter-module gate scheduling, and potentially provides an efficient distributed compilation of other Trotterized algorithms.