840 citations · 1k across the 6 of their papers we have counts for
6 papers
Towards quantum-enabled cell-centric therapeutics
Saugata Basu, Jannis Born, Aritra Bose +30
In recent years, there has been tremendous progress in the development of quantum computing hardware, algorithms and services leading to the expectation that in the near future qua…
Quantum chemistry simulation of ground- and excited-state properties of the sulfonium cation on a superconducting quantum processor
Mario Motta, Gavin O. Jones, Julia E. Rice +5
The computational description of correlated electronic structure, and particularly of excited states of many-electron systems, is an anticipated application for quantum devices. An…
Quantum Chemistry Simulations of Dominant Products in Lithium-Sulfur Batteries
Julia E. Rice, Tanvi P. Gujarati, Tyler Y. Takeshita +4
Quantum chemistry simulations of some industrially relevant molecules are reported, employing variational quantum algorithms for near-term quantum devices. The energies and dipole…
Computational Investigations of the Lithium Superoxide Dimer Rearrangement on Noisy Quantum Devices
Qi Gao, Hajime Nakamura, Tanvi P. Gujarati +6
Currently available noisy intermediate-scale quantum (NISQ) devices are limited by the number of qubits that can be used for quantum chemistry calculations on molecules. We show he…
In situ AFM Observations of Li-Oxygen Electrochemical Reactions
Hariharan Katharajan, Kumar Virwani, A. David Erpelding +1
The morphologies of crystalline lithium peroxide (Li2O2) discharge products in Li-O2 batteries have been shown to exhibit a dependency on subtle variations within the battery cell-…
On the Origin and Implications of LiO Toroid Formation in Nonaqueous Li-O Batteries
Nagaphani B. Aetukuri, Bryan D. McCloskey, Jeannette M. García +3
The lithium-air (Li-O) battery has received enormous attention as a possible alternative to current state-of-the-art rechargeable Li-ion batteries given their high theoretical…