105 citations · 123 across the 4 of their papers we have counts for
4 papers
Selenium and the role of defects for photovoltaic applications
Hadeel Moustafa, Jiban Kangsabanik, Fabian Bertoldo +4
We present first principles calculations of the electronic properties of trigonal selenium with emphasis on photovoltaic applications. The band gap and optical absorption spectrum…
Hundreds of new, stable, one-dimensional materials from a generative machine learning model
Hadeel Moustafa, Peder Meisner Lyngby, Jens Jørgen Mortensen +2
We use a generative neural network model to create thousands of new, one-dimensional materials. The model is trained using 508 stable one-dimensional materials from the Computation…
Computational exfoliation of atomically thin 1D materials with application to Majorana bound states
Hadeel Moustafa, Peter Mahler Larsen, Morten N. Gjerding +3
We introduce a computational database with calculated structural, thermodynamic, electronic, magnetic, and optical properties of 820 one-dimensional materials. The materials are sy…
High throughput computational screening for two-dimensional magnetic materials based on experimental databases of three-dimensional compounds
Daniele Torelli, Hadeel Moustafa, Karsten W. Jacobsen +1
We perform a computational screening for two-dimensional magnetic materials based on experimental bulk compounds present in the Inorganic Crystal Structure Database and Crystallogr…