January 20, 2023 article Open access SPT-NRTL: A physics-guided machine learning model to predict thermodynamically consistent activity coefficients Fluid Phase Equilibria DOI: 10.1016/j.fluid.2023.113731 Full text (OA) OpenAlex Authors 0 Author list not loaded yet. Cited by 8 stored of 75 Search Sort Most cited Newest Oldest Patent citations Title Any typearticle review book-chapter conference-paper preprint dissertation book dataset other Any fieldAgricultural and Biological Sciences Arts and Humanities Biochemistry, Genetics and Molecular Biology Business, Management and Accounting Chemical Engineering Chemistry Computer Science Decision Sciences Dentistry Earth and Planetary Sciences Economics, Econometrics and Finance Energy Engineering Environmental Science Health Professions Immunology and Microbiology Materials Science Mathematics Medicine Neuroscience Nursing Pharmacology, Toxicology and Pharmaceutics Physics and Astronomy Psychology Social Sciences Veterinary Open access Federated learning from molecules to processes: A perspective 2026 Process Safety and Environmental Protection article Computer Science Privacy-Preserving Technologies in Data Open access 0 citations Molecular machine learning in chemical process design 2026 Current Opinion in Chemical Engineering review Materials Science Machine Learning in Materials Science Open access 5 citations Improved methodology for the measurement of vapor-liquid equilibria of binary mixtures with large boiling point differences via differential scanning calorimetry 2026 Thermochimica Acta article Engineering Phase Equilibria and Thermodynamics Open access 1 citations Exploring data augmentation: Multi-task methods for molecular property prediction 2025 Computers & Chemical Engineering article Materials Science Machine Learning in Materials Science Open access 2 citations GraphXForm: graph transformer for computer-aided molecular design 2025 Digital Discovery article Computer Science Computational Drug Discovery Methods Open access 9 citations ML-SAFT: A machine learning framework for PCP-SAFT parameter prediction 2024 Chemical Engineering Journal article Engineering Phase Equilibria and Thermodynamics Open access 33 citations Thermodynamics-consistent graph neural networks 2024 Chemical Science article Engineering Phase Equilibria and Thermodynamics Open access 38 citations Gibbs–Duhem-informed neural networks for binary activity coefficient prediction 2023 Digital Discovery article Engineering Phase Equilibria and Thermodynamics Open access 60 citations 8 results References 1 Search Sort Most cited Newest Oldest Patent citations Title Any typearticle review book-chapter conference-paper preprint dissertation book dataset other Any fieldAgricultural and Biological Sciences Arts and Humanities Biochemistry, Genetics and Molecular Biology Business, Management and Accounting Chemical Engineering Chemistry Computer Science Decision Sciences Dentistry Earth and Planetary Sciences Economics, Econometrics and Finance Energy Engineering Environmental Science Health Professions Immunology and Microbiology Materials Science Mathematics Medicine Neuroscience Nursing Pharmacology, Toxicology and Pharmaceutics Physics and Astronomy Psychology Social Sciences Veterinary Open access Graph neural networks for temperature-dependent activity coefficient prediction of solutes in ionic liquids 2023 Computers & Chemical Engineering article Chemical Engineering Ionic liquids properties and applications Open access 86 citations 1 result