Universal Thermodynamic Interatomic Potentials for Crystalline Materials
Updated
Updated · arxiv.org · Aug 14
Universal Thermodynamic Interatomic Potentials for Crystalline Materials
1 articles · Updated · arxiv.org · Aug 14
Summary
Researchers have introduced the Thermodynamic Interatomic Potential (TIP), a model that predicts the Gibbs free energy of crystalline materials as a function of temperature and pressure.
TIP leverages machine learning interatomic potentials, trained on multi-fidelity datasets, to efficiently model phase stability and transitions in solids.
This approach could accelerate materials discovery by making finite-temperature thermodynamic properties as accessible as static energy calculations.