112 citations · 279 across the 14 of their papers we have counts for
3 papers · 1 filter
Machine-learning correction to density-functional crystal structure optimization
Robert Hussein, Jonathan Schmidt, Tomás Barros +2
Density functional theory is routinely applied to predict crystal structures. The most common exchange-correlation functionals used to this end are the Perdew-Burke-Ernzerhof (PBE)…
Machine learning the derivative discontinuity of density-functional theory
Johannes Gedeon, Jonathan Schmidt, Matthew J. P. Hodgson +3
Machine learning is a powerful tool to design accurate, highly non-local, exchange-correlation functionals for density functional theory. So far, most of those machine learned func…
Machine Learning Universal Bosonic Functionals
Jonathan Schmidt, Matteo Fadel, Carlos L. Benavides-Riveros
The one-body reduced density matrix plays a fundamental role in describing and predicting quantum features of bosonic systems, such as Bose-Einstein condensation. The recently…