October 05, 2017 article Open access Bypassing the Kohn-Sham equations with machine learning Nature Communications DOI: 10.1038/s41467-017-00839-3 Full text (OA) OpenAlex Authors 0 Author list not loaded yet. Cited by 5 stored of 730 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 A symmetry-preserving and transferable representation for learning the Kohn–Sham density matrix 2026 Digital Discovery article Materials Science Machine Learning in Materials Science Open access 1 citations Learning density functionals from noisy quantum data 2025 Machine Learning Science and Technology article Computer Science Quantum Computing Algorithms and Architecture Open access 2 citations Machine Learning Isotropic g Values of Radical Polymers 2024 Journal of Chemical Theory and Computation article Materials Science Machine Learning in Materials Science Open access 5 citations An automated approach for developing neural network interatomic potentials with FLAME 2021 Computational Materials Science article Materials Science Machine Learning in Materials Science Open access 12 citations A Semiempirical Method to Detect and Correct DFT-Based Gas-Phase Errors and Its Application in Electrocatalysis 2020 ACS Catalysis article Physics and Astronomy Advanced Chemical Physics Studies Open access 135 citations 5 results References 0