159 citations · 351 across the 7 of their papers we have counts for
3 papers · 1 filter
Imeall: A Computational Framework for the Calculation of the Atomistic Properties of Grain Boundaries
Henry Lambert, Adam Fekete, James R Kermode +1
We describe the \texttt{Imeall} package for the calculation and indexing of atomistic properties of grain boundaries in materials. The package provides a structured database for th…
Origin of superconductivity and latent charge density wave in NbS
Christoph Heil, Samuel Poncé, Henry Lambert +3
We elucidate the origin of the phonon-mediated superconductivity in 2-NbS using the ab initio anisotropic Migdal-Eliashberg theory including Coulomb interactions. We demonst…
Ab initio calculation of spin fluctuation spectra using time dependent density functional perturbation theory, planewaves, and pseudopotentials
Kun Cao, Henry Lambert, Paolo G. Radaelli +1
We present an implementation of time-dependent density functional perturbation theory for spin fluctuations, based on planewaves and pseudopotentials. We compute the dynamic spin s…