Predicting vibrational entropy of fcc solids uniquely from bond chemistry using machine learning
Anus Manzoor, Dilpuneet S. Aidhy
Topics & Concepts
Density functional theoryComputationMaterials scienceEnthalpyThermodynamicsWork (physics)Bond lengthAlloyEntropy (arrow of time)Chemical bondBondStatistical physicsStability (learning theory)MoleculeComputer scienceAlgorithmComputational chemistryMachine learningPhysicsChemistryQuantum mechanicsMetallurgyFinanceEconomicsMachine Learning in Materials ScienceHydrogen embrittlement and corrosion behaviors in metalsCorrosion Behavior and Inhibition