1.9k citations · 7.6k across the 37 of their papers we have counts for
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cond-mat.mtrl-sci2017★ 30 cited
A posteriori metadata from automated provenance tracking: Integration of AiiDA and TCOD
Andrius Merkys, Nicolas Mounet, Andrea Cepellotti +3
In order to make results of computational scientific research findable, accessible, interoperable and re-usable, it is necessary to decorate them with standardised metadata. Howeve…
cond-mat.mes-hall2017★ 16 cited
Strain-induced polar discontinuities in two-dimensional materials from combined first-principles and Schrödinger-Poisson simulations
Augustin Bussy, Giovanni Pizzi, Marco Gibertini
The local application of mechanical stress in piezoelectric materials gives rise to boundaries across which the electric polarization changes. Polarization charges appear along suc…