16 citations · 19 across the 4 of their papers we have counts for
4 papers · 1 filter
Development of a magnetic interatomic potential for cubic anti-ferromagnets: the case of NiO
Ievgeniia Korniienko, Pablo Nieves, Jakub Sebesta +2
Interatomic potentials are essential for molecular dynamics simulations of magnetic materials, yet incorporating magnetic features into potentials for complex antiferromagnets rema…
Magnetoelasticity - magnetic structure interrelation - tetragonal MnPt system study
Jakub Šebesta, Karol Synoradzki, Michal Vališka +4
Magnetic materials represent an essential ingredient for the contemporary industry. Apart from common material parameters such as magnetocrystalline anisotropy, coercivity, or satu…
VelCrys: Interactive web-based application to compute acoustic wave velocity in crystals and its magnetic corrections
P. Nieves, I. Korniienko, A. Fraile +3
We present VelCrys, a web-based interactive tool, that allows to perform further post-processing of the elastic tensor in order to compute and plot the group velocity of the acoust…
Computational screening of Fe-Ta hard magnetic phases
Sergiu Arapan, Pablo Nieves, Heike C. Herper +1
In this work we perform a systematic calculation of the Fe-Ta phase diagram to discover novel hard magnetic phases. By using structure prediction methods based on evolutionary algo…