Machine learning for improved density functional theory thermodynamics
Enthalpy of formationThough it is straightforward to calculate phase equilibria at given external conditions (temperature and pressure) through Gibbs or...
Enthalpy of formationThough it is straightforward to calculate phase equilibria at given external conditions (temperature and pressure) through Gibbs or...
Schematic of the synergistic framework for interpretable ML-assisted target synthesis of IRFMs. Credit: Advanced Science (2025). DOI: 10.1002/advs.202417851 Infrared optoelectronic...