phase-stability

FPBench: application-oriented error decomposition for foundation potentials. Force prediction, phase stability and ordering, ion migration by NEB.

Personal reading notes on PhaseForge and MaterialsFramework, connecting their research direction with my current atomistic background and PhD learning goals.

Machine learning and predictive intelligence framework for materials behaviour, phase stability, and property forecasting.

Self-directed pycalphad exercises focused on phase equilibrium, phase stability, and introductory CALPHAD concepts.

A draft structural protocol for convergence-window design, phase stability, amplitude threshold control, and rebalance timing in oscillating reasoning systems.

0 K convex hulls for binary alloys, with LAMMPS as the only energy engine