48 citations · 80 across the 5 of their papers we have counts for
6 papers
Efficiently computing excitations of complex systems: linear-scaling time-dependent embedded mean-field theory in implicit solvent
Joseph C. A. Prentice
Quantum embedding schemes have the potential to significantly reduce the computational cost of first principles calculations, whilst maintaining accuracy, particularly for calculat…
Accurate and efficient computation of optical absorption spectra of molecular crystals: the case of the polymorphs of ROY
Joseph C. A. Prentice, Arash A. Mostofi
When calculating the optical absorption spectra of molecular crystals from first principles, the influence of the crystalline environment on the excitations is of significant impor…
Strain-tuning of nematicity and superconductivity in single crystals of FeSe
Michele Ghini, Matthew Bristow, Joseph C. A. Prentice +4
Strain is a powerful experimental tool to explore new electronic states and understand unconventional superconductivity. Here, we investigate the effect of uniaxial strain on the n…
First-principles anharmonic vibrational study of the structure of calcium silicate perovskite under lower mantle conditions
Joseph C. A. Prentice, Ryo Maezono, R. J. Needs
Calcium silicate perovskite (CaSiO) is one of the major mineral components of the lower mantle, but has been the subject of relatively little work compared to the more abundant…
Using forces to accelerate first-principles anharmonic vibrational calculations
Joseph C. A. Prentice, R. J. Needs
High-level vibrational calculations have been used to investigate anharmonicity in a wide variety of materials using density-functional-theory (DFT) methods. We have developed a ne…
Modelling the angle-dependent magnetoresistance oscillations of Fermi surfaces with hexagonal symmetry
Joseph C. A. Prentice, Amalia I. Coldea
By solving the Boltzmann transport equation we investigate theoretically the general form of oscillations in the resistivity caused by varying the direction of an applied magnetic…