activity
20162023
most citedQuantum chemistry simulation of ground- and excited-state properties of the sulfonium cation on a superconducting quantum processor

48 citations · 57 across the 2 of their papers we have counts for

collaborators

5 papers

quant-ph2023★ 9 cited

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…

quant-ph2022★ 48 cited

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…

physics.chem-ph2020

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…

quant-ph2019

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…

cond-mat.mtrl-sci2016

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-…