January 11, 2016 review Computational predictions of energy materials using density functional theory Nature Reviews Materials DOI: 10.1038/natrevmats.2015.4 OpenAlex Authors 0 Author list not loaded yet. Cited by 5 stored of 949 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 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 Classification of properties and their relation to chemical bonding: Essential steps toward the inverse design of functional materials 2022 Science Advances article Materials Science Machine Learning in Materials Science Open access 56 citations Hubbard U parameters for transition metals from first principles 2022 Physical review. B./Physical review. B article Physics and Astronomy Advanced Chemical Physics Studies 154 citations A robust and efficient line search for self-consistent field iterations 2022 Journal of Computational Physics article Physics and Astronomy Advanced Chemical Physics Studies Open access 7 citations A Minimal Information Set To Enable Verifiable Theoretical Battery Research 2021 ACS Energy Letters other Engineering Advancements in Battery Materials Open access 30 citations 5 results References 0