Force field for calcium sulfate minerals to predict structural, hydration, and interfacial properties
Ratan K. Mishra, Krishan Kanhaiya, Jordan J. Winetrout, Robert J. Flatt, Hendrik Heinz
Topics & Concepts
Force field (fiction)AnhydriteGypsumLattice energyMolecular dynamicsChemistrySulfateMaterials scienceSolubilityCrystal structureChemical physicsMineralogyThermodynamicsCrystallographyComputational chemistryPhysical chemistryComposite materialOrganic chemistryPhysicsArtificial intelligenceComputer scienceCalcium Carbonate Crystallization and InhibitionHigh-pressure geophysics and materialsElectrostatics and Colloid Interactions