January 01, 2020 book-chapter Open access Learning Representations of Molecules and Materials with Atomistic Neural Networks Lecture notes in physics DOI: 10.1007/978-3-030-40245-7_11 Full text (OA) OpenAlex Authors 0 Author list not loaded yet. Cited by 4 stored of 23 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 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 arXiv (Cornell University) preprint Engineering Phase Equilibria and Thermodynamics Open access 1 citations Physical pooling functions in graph neural networks for molecular property prediction 2023 Computers & Chemical Engineering article Computer Science Computational Drug Discovery Methods Open access 59 citations Gibbs–Duhem-informed neural networks for binary activity coefficient prediction 2023 Digital Discovery article Engineering Phase Equilibria and Thermodynamics Open access 60 citations 4 results References 0