32 citations · 63 across the 6 of their papers we have counts for
6 papers
Acceleration of the CASINO quantum Monte Carlo software using graphics processing units and OpenACC
B. Thorpe, M. J. Smith, P. J. Hasnip +1
We describe how quantum Monte Carlo calculations using the CASINO software can be accelerated using graphics processing units (GPUs) and OpenACC. In particular we consider offloadi…
Theory of momentum-resolved magnon electron energy loss spectra: The case of Yttrium Iron Garnet
Julio A. do Nascimento, Phil J. Hasnip, S. A. Cavill +5
We explore the inelastic spectra of electrons impinging in a magnetic system. The methodology here presented is intended to highlight the charge-dependent interaction of the electr…
Confined magnon dispersion in ferromagnetic and antiferromagnetic thin films in a second quantization approach: the case of Fe and NiO
Julio A. do Nascimento, Adam Kerrigan, S. A. Cavill +4
We present a methodology based on the calculation of the inelastic scattering from magnons via the spin scattering function in confined geometries such as thin films using a second…
Many-body renormalisation of forces in f-electron materials
Evgeny Plekhanov, Phil Hasnip, Vincent Sacksteder +4
We present the implementation of Dynamical Mean-Field Theory (DMFT) in the CASTEP \emph{ab-initio} code. We explain in detail the theoretical framework for DFT+DMFT and we demonstr…
Auxiliary density functionals: a new class of methods for efficient, stable density functional theory calculations
P. J. Hasnip, M. I. J. Probert
A new class of methods is introduced for solving the Kohn-Sham equations of density functional theory, based on constructing a mapping dynamically between the Kohn-Sham system and…
Exchange coupling and magnetic anisotropy at Fe/FePt interfaces
C J Aas, P J Hasnip, R Cuadrado +4
We perform fully relativistic first principles calculations of the exchange interactions and the magnetocrystalline anisotropy energy (MAE) in an Fe/FePt/Fe sandwich system in orde…