2 papers
cond-mat.mtrl-sci2026
Smooth Overlap of Spin Orientations: Machine Learning Exchange Fields for Ab-initio Spin Dynamics
Yuqiang Gao, Menno Bokdam, Paul J. Kelly
We add the magnetic degrees of freedom to the widely used Gaussian Approximation Potential of machine learning (ML) and present a model that describes the potential energy surface…
cond-mat.mtrl-sci2026
Simulating the influence of stoichiometry on the spectral emissivity of MoSi thin films
Zahra Golsanamlou, Arseniy Baskakov, Robbert van de Kruijs +4
In this work, we simulate the spectral emissivity of various stoichiometric crystal phases of MoSi compounds using density functional perturbation theory. The dielectric fu…