Bartlett, R. J. & Musiał, M. Coupled-cluster theory in quantum chemistry. Rev. Mod. Phys. 79, 291–352…
Continue ReadingTag: potentials

Predicting emergence of crystals from amorphous precursors with deep learning potentials
De Yoreo, J. J. Casting a bright light on Ostwald’s rule of stages. Proc. Natl Acad.…
Continue Reading
Machine learning the electric field response of condensed phase systems using perturbed neural network potentials
Clarke, D., Whitney, H., Sutton, G. & Robert, D. Detection and learning of floral electric fields…
Continue Reading