576 citations · 778 across the 9 of their papers we have counts for
3 papers · 2 filters
A universal chemical potential for sulfur vapours
Adam J. Jackson, Davide Tiana, Aron Walsh
The unusual chemistry of sulfur is illustrated by the tendency for catenation. Sulfur forms a range of open and closed S species in the gas phase, which has led to speculation…
Crystal structure optimisation using an auxiliary equation of state
Adam J. Jackson, Jonathan M. Skelton, Christopher H. Hendon +2
Standard procedures for local crystal-structure optimisation involve numerous energy and force calculations. It is common to calculate an energy-volume curve, fitting an equation o…
Lattice dynamics and vibrational spectra of the orthorhombic, tetragonal and cubic phases of methylammonium lead iodide
Federico Brivio, Jarvist M. Frost, Jonathan M. Skelton +7
The hybrid halide perovskite CH3NH3PbI3 exhibits a complex structural behaviour, with successive transitions between orthorhombic, tetragonal and cubic polymorphs at ca. 165 K and…