233 citations · 2.6k across the 37 of their papers we have counts for
3 papers · 2 filters
Evaluation of van der Waals density functionals for layered materials
Sherif Abdulkader Tawfik, Tim Gould, Catherine Stamp +1
In 2012, Bjorkman et al. posed the question "Are we van der Waals ready?" [J. Phys.: Condens. Matter, 2012, 24, 424218] about the ability of ab initio modelling to reproduce van de…
First principles investigation of quantum emission from hBN defects
Sherif Abdulkader Tawfik, Sajid Ali, Marco Fronzi +6
Hexagonal boron nitride (hBN) has recently emerged as a fascinating platform for room-temperature quantum photonics due to the discovery of robust visible light single-photon emitt…
Near-perfect spin filtering and negative differential resistance in an Fe(II)S complex
Sherif Abdulkader Tawfik, Leigh Weston, X. Y. Cui +2
Density functional theory and nonequilibrium Green's function calculations have been used to explore spin-resolved transport through the high-spin state of an iron(II)sulfur single…