62 citations · 74 across the 10 of their papers we have counts for
Showing 2026Show all
3 papers · 1 filter
physics.chem-ph2026
Performance of a minimally empirical local-hybrid density functional for molecular chemistry
Erin R. Johnson, Kyle R. Bryenton
Delocalisation error has been argued to be the greatest outstanding challenge in density-functional theory (DFT). One of the most promising routes to minimise this error is develop…
cond-mat.mtrl-sci2026
The effects of dispersion damping and three-body interactions for accurate layered-material exfoliation energies
Adrian F. Rumson, Kyle R. Bryenton, Erin R. Johnson
Accurate predictions of exfoliation energies and lattice constants of layered materials hinge on a correct description of London dispersion physics. Modern a posteriori dispersion…
physics.chem-ph2026
Consistent GMTKN55 and molecular-crystal accuracy using minimally empirical DFT with XDM(Z) dispersion
Kyle R. Bryenton, Erin R. Johnson
Density-functional theory (DFT) has become the workhorse of modern computational chemistry, with dispersion corrections such as the exchange-hole dipole moment (XDM) model playing…