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Reducing qubit requirements for quantum simulation using molecular point group symmetries.
Kanav Setia, Richard Chen, J. Rice, Antonio Mezzacapo, Marco Pistoia, J. Whitfield·October 31, 2019·DOI: 10.1021/acs.jctc.0c00113
PhysicsMedicine
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Abstract
Simulating molecules is believed to be one of the early-stage applications for quantum computers. Current state-of-the-art quantum computers are limited in size and coherence, therefore optimizing resources to execute quantum algorithms is crucial. In this work, we develop a formalism to reduce the number of qubits required for simulating molecules using spatial symmetries, by finding qubit representations of irreducible symmetry sectors. We present our results for various molecules and elucidate a formal connection of this work with a previous technique that analyzed generic $Z_2$ Pauli symmetries.