Coarse-grained intermolecular interactions on quantum processors

Variational quantum algorithms (VQAs) are increasingly being applied in simulations of strongly bound (covalently bonded) systems using full molecular orbital basis representations. The application of quantum computers to the weakly bound intermolecular and noncovalently bonded regime, however, has...

Full description

Bibliographic Details
Main Authors: Anderson, LW, Kiffner, M, Barkoutsos, PK, Tavernelli, I, Crain, J, Jaksch, D
Format: Journal article
Language:English
Published: American Physical Society 2022