67 citations · 166 across the 4 of their papers we have counts for
4 papers
Quantum-Classical Computational Molecular Design of Deuterated High-Efficiency OLED Emitters
Qi Gao, Gavin O. Jones, Michihiko Sugawara +5
This study describes a hybrid quantum-classical computational approach for designing synthesizable deuterated emitters possessing desirable emission quantum efficiencies (Q…
Applications of Quantum Computing for Investigations of Electronic Transitions in Phenylsulfonyl-carbazole TADF Emitters
Qi Gao, Gavin O. Jones, Mario Motta +7
A quantum chemistry study of the first singlet (S1) and triplet (T1) excited states of phenylsulfonyl-carbazole compounds, proposed as useful thermally activated delayed fluorescen…
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…
Ion-Pairing Limits Crystal Growth in Metal-Oxygen Batteries
Nagaphani B. Aetukuri, Gavin O. Jones, Leslie E. Thompson +7
Aprotic alkali metal-oxygen batteries are widely considered to be promising high specific energy alternatives to Li-ion batteries. The growth and dissolution of alkali metal oxides…