2 papers
cond-mat.mtrl-sci2026
Effective dynamic constants for nonequilibrium third-principles simulations
Mauro Pulzone, Iñigo Robredo-Magro, Jorge Ãñiguez-González
Computational studies of the thermodynamic properties of materials at the mesoscopic and macroscopic scales -- involving lengths and times of at least m and s, respectively…
cond-mat.mtrl-sci2025
Machine learning Landau free energy potentials
Mauro Pulzone, Natalya S. Fedorova, Hugo Aramberri +1
We show how to construct Landau-like free energy potentials using a machine-learning approach. For concreteness, we focus on perovskite oxide PbTiO. We work with a training s…