January 01, 2025 article Open access Machine learning generalised DFT+ U projectors in a numerical atom-centred orbital framework Digital Discovery DOI: 10.1039/d5dd00292c Full text (OA) OpenAlex Authors 0 Author list not loaded yet. Cited by 0 stored of 3 References 4 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 Tilting and Distortion in Rutile-Related Mixed Metal Ternary Uranium Oxides: A Structural, Spectroscopic, and Theoretical Investigation 2021 Inorganic Chemistry article Chemistry Radioactive element chemistry and processing 21 citations Refined DFT＋ U method for computation of layered oxide cathode materials 2023 Electrochimica Acta article Engineering Advancements in Battery Materials 17 citations Electrode and Electrolyte Materials From Atomistic Simulations: Properties of LixFEPO4 Electrode and Zircon-Based Ionic Conductors 2021 Frontiers in Energy Research article Engineering Advancements in Battery Materials Open access 11 citations Getting the Manifold Right: The Crucial Role of Orbital Resolution in DFT+ U for Mixed d–f Electron Compounds 2026 Journal of Chemical Theory and Computation article Physics and Astronomy Advanced Chemical Physics Studies Open access 3 citations 4 results