Graph neural networks for temperature-dependent activity coefficient prediction of solutes in ionic liquids
Jan G. Rittig, Karim Ben Hicham, Artur M. Schweidtmann, Manuel Dahmen, Alexander Mitsos
Topics & Concepts
Ionic liquidUNIFACGraphCOSMO-RSDilutionTransformerArtificial neural networkComputer scienceBinary numberActivity coefficientChemistryBiological systemThermodynamicsMachine learningMathematicsTheoretical computer scienceEngineeringOrganic chemistryVoltagePhysicsAqueous solutionBiologyElectrical engineeringCatalysisArithmeticIonic liquids properties and applicationsComputational Drug Discovery MethodsElectrochemical Analysis and Applications