576 citations · 778 across the 9 of their papers we have counts for
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Molecular neutron spectroscopy techniques applied to ceramics -SiC and -GaO
Adam J. Jackson, Svemir Rudić, Manh Duc Le +1
Neutron spectroscopy is a powerful technique for determining the vibrational states of matter. Instruments with fixed geometry may measure inelastic scattering at a limited set of…
Predicting neutron experiments from first principles: A workflow powered by machine learning
Eric Lindgren, Adam J. Jackson, Erik Fransson +6
Machine learning has emerged as a powerful tool in materials discovery, enabling the rapid design of novel materials with tailored properties for countless applications, including…
Euphonic: inelastic neutron scattering simulations from force constants and visualisation tools for phonon properties
Rebecca Fair, Adam Jackson, David Voneshen +4
Interpretation of vibrational inelastic neutron scattering spectra of complex systems is frequently reliant on accompanying simulations from theoretical models. Ab-initio codes can…
Suppression of lattice thermal conductivity by mass-conserving cation mutation in multi-component semiconductors
Taizo Shibuya, Jonathan M. Skelton, Adam J. Jackson +4
In semiconductors almost all heat is conducted by phonons (lattice vibrations), which is limited by their quasi-particle lifetimes. Phonon-phonon interactions represent scattering…
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…
Ab initio thermodynamic model of CuZnSnS
Adam J. Jackson, Aron Walsh
Thin-film solar cells based on the semiconductor CuZnSnS (CZTS) are a promising candidate for Terawatt-scale renewable energy generation. While CZTS is composed of earth ab…
Oxidation of GaN: An ab initio thermodynamic approach
Adam J. Jackson, Aron Walsh
GaN is a wide-bandgap semiconductor used in high-efficiency LEDs and solar cells. The solid is produced industrially at high chemical purities by deposition from a vapour phase, an…