Corpus ID: 209862171

Quantum Chemistry Simulations of Dominant Products in Lithium-Sulfur Batteries

@inproceedings{Rice2020QuantumCS,
  title={Quantum Chemistry Simulations of Dominant Products in Lithium-Sulfur Batteries},
  author={Julia E. Rice and Tanvi P. Gujarati and Tyler Y Takeshita and Joe Latone and Mario Motta and Andreas Hintennach and Jeannette M. Garc{\'i}a},
  year={2020}
}
  • Julia E. Rice, Tanvi P. Gujarati, +4 authors Jeannette M. García
  • Published 2020
  • Physics, Chemistry
  • Quantum chemistry simulations of four industrially relevant molecules are reported. Dissociation curves and dipole moments are reported for lithium hydride (LiH), hydrogen sulfide (H2S), lithium hydrogen sulfide (LiSH) and lithium sulfide (Li2S). Herein, we demonstrate the ability to calculate dipole moments using up to 21 qubits on a quantum simulator for a lithium sulfur salt molecule, and demonstrate the ability to calculate the dipole moment of the LiH molecule on the IBM Q Valencia device… CONTINUE READING

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