699 citations · 699 across the 1 of their papers we have counts for
3 papers
Prediction of crystal structures and motifs in the Fe-Mg-O system at Earth's core pressures
Renhai Wang, Yang Sun, Renata M. Wentzcovitch +6
Fe, Mg, and O are among the most abundant elements in terrestrial planets. While the behavior of the Fe-O, Mg-O, and Fe-Mg binary systems under pressure have been investigated, the…
NWChem: Past, Present, and Future
E. Aprà, E. J. Bylaska, W. A. de Jong +111
Specialized computational chemistry packages have permanently reshaped the landscape of chemical and materials science by providing tools to support and guide experimental efforts…
Theoretical prediction of a highly responsive material: Spin fluctuations and superconductivity in FeNiB2 system
Renhai Wang, Yang Sun, Vladimir Antropov +3
By analyzing Fe-Ni-B compositional diagram we predict an energetically and dynamically stable FeNiB2 compound. This system belongs to the class of highly responsive state of materi…