130 citations · 204 across the 3 of their papers we have counts for
3 papers
Auger Spectroscopy via Generative Quantum Eigensolver: A Quantum Approach to Molecular Excitations
Kimberlee Keithley, Shunsuke Yamamoto, Ryota Kenmoku +16
Auger electron spectroscopy, a way of characterizing electronic structure through core-level decay processes, is widely used in materials characterization; however direct calculati…
A Feasible Approach for Automatically Differentiable Unitary Coupled-Cluster on Quantum Computers
Jakob S. Kottmann, Abhinav Anand, Alán Aspuru-Guzik
We develop computationally affordable and encoding independent gradient evaluation procedures for unitary coupled-cluster type operators, applicable on quantum computers. We show t…
Machine Learning Exciton Dynamics
Florian Häse, Stéphanie Valleau, Edward Pyzer-Knapp +1
Obtaining the exciton dynamics of large photosynthetic complexes by using mixed quantum mechanics/molecular mechanics (QM/MM) is computationally demanding. We propose a machine lea…