181 citations · 800 across the 10 of their papers we have counts for
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Challenges in the use of quantum computing hardware-efficient Ansatze in electronic structure theory
Ruhee D'Cunha, T. Daniel Crawford, Mario Motta +1
Advances in quantum computation for electronic structure, and particularly heuristic quantum algorithms, create an ongoing need to characterize the performance and limitations of t…
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 Computation of Reactions on Surfaces Using Local Embedding
Tanvi P. Gujarati, Mario Motta, Triet Nguyen Friedhoff +9
Modeling electronic systems is an important application for quantum computers. In the context of materials science, an important open problem is the computational description of ch…
N-electron valence perturbation theory with reference wavefunctions from quantum computing: application to the relative stability of hydroxide anion and hydroxyl radical
Alessandro Tammaro, Davide E. Galli, Julia E. Rice +1
Quantum simulations of the hydroxide anion and hydroxyl radical are reported, employing variational quantum algorithms for near-term quantum devices. The energy of each species is…