4 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…
Coupled Cluster con MÅLe: Molecular Orbital Learning for Neural Wavefunctions
Luca Thiede, Abdulrahman Aldossary, Andreas Burger +9
Density functional theory (DFT) is the most widely used method for calculating molecular properties; however, its accuracy is often insufficient for quantitative predictions. Coupl…
Quantum Algorithm for Vibronic Dynamics: Case Study on Singlet Fission Solar Cell Design
Danial Motlagh, Robert A. Lang, Paarth Jain +5
Vibronic interactions between nuclear motion and electronic states are critical for the accurate modeling of photochemistry. However, accurate simulations of fully quantum non-adia…
The generative quantum eigensolver (GQE) and its application for ground state search
Kouhei Nakaji, Lasse Bjørn Kristensen, Ryota Kemmoku +14
We introduce the generative quantum eigensolver (GQE), a new quantum computational framework that operates outside the variational quantum algorithm paradigm by applying classical…