Exploiting molecular point group symmetries for quantum simulation
ORAL
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 Z2 Pauli symmetries.
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 Z2 Pauli symmetries.
*KS and JDW are funded by NSF awards DMR-1747426,
1820747. JDW also acknowledges support from the U.S De-
partment of Energy (Award A053685) and from DOE Of-
fice of Science, Office of Advanced Scientific Computing Re-
search, under the Quantum Computing Application Teams
program (Award 1979657). AM acknowledges support from
the IBM Research Frontiers Institute. We acknowledge useful
discussions with Sergey Bravyi
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Presenters
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Kanav Setia
- Dartmouth Coll