85 citations · 221 across the 8 of their papers we have counts for
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cond-mat.mtrl-sci2022★ 13 cited
Phase stability of Fe from first-principles: atomistic spin dynamics coupled with ab initio molecular dynamics simulations and thermodynamic integration
Davide Gambino, Johan Klarbring, Björn Alling
The calculation of free energies from first principles in materials is a formidable task which enables the prediction of phase stability with high accuracy; these calculations are…
physics.comp-ph2022★ 17 cited
Density Functional description of spin, lattice, and spin-lattice dynamics in antiferromagnetic and paramagnetic phases at finite temperatures
Davide Gambino, Oleksandr I. Malyi, Zhi Wang +2
Describing the (a) electronic and magnetic properties (EMP) of antiferromagnetic or paramagnetic phases of compounds generally requires the knowledge of (b) the spin configurations…