3 papers
cond-mat.mtrl-sci2023
Machine-Learning-Assisted Construction of Ternary Convex Hull Diagrams
Hugo Rossignol, Michail Minotakis, Matteo Cobelli +1
In the search for novel intermetallic ternary alloys, much of the effort goes into performing a large number of ab-initio calculations covering a wide range of compositions and str…
cond-mat.mtrl-sci2023
Machine-Learning Surrogate Model for Accelerating the Search of Stable Ternary Alloys
Michael Minotakis, Hugo Rossignol, Matteo Cobelli +1
The prediction of phase diagrams in the search for new phases is a complex and computationally intensive task. Density functional theory provides, in many situations, the desired a…
cond-mat.mtrl-sci2021
Spin accumulation from non-equilibrium first principles methods
Alexander Fabian, Hugo Rossignol, Ming-Hung Wu +3
For the technologically relevant spin Hall effect most theoretical approaches rely on the evaluation of the spin-conductivity tensor. In contrast, for most experimental configurati…