November 14, 2023 review Open access How to verify the precision of density-functional-theory implementations via reproducible and universal workflows Nature Reviews Physics DOI: 10.1038/s42254-023-00655-3 Full text (OA) OpenAlex Authors 0 Author list not loaded yet. Cited by 6 stored of 88 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 Implementation and application of a DFT + U + V approach within the all-electron FLAPW method 2026 Physical review. B./Physical review. B article Physics and Astronomy Advanced Chemical Physics Studies Open access 0 citations Implementation and application of a DFT + U + V approach within the all-electron FLAPW method 2026 Physical review. B./Physical review. B article Physics and Astronomy Advanced Chemical Physics Studies Open access 0 citations Reproducibility of fixed-node diffusion Monte Carlo across diverse community codes: The case of water–methane dimer 2025 The Journal of Chemical Physics article Physics and Astronomy Advanced Chemical Physics Studies Open access 9 citations Atomate2: modular workflows for materials science 2025 Digital Discovery article Materials Science Machine Learning in Materials Science Open access 43 citations Phonons from density-functional perturbation theory using the all-electron full-potential linearized augmented plane-wave method FLEUR * 2023 Electronic Structure article Physics and Astronomy Advanced Chemical Physics Studies Open access 9 citations Phonons from Density-Functional Perturbation Theory using the All-Electron Full-Potential Linearized Augmented Plane-Wave Method FLEUR 2023 arXiv (Cornell University) preprint Physics and Astronomy Advanced Chemical Physics Studies Open access 2 citations 6 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 Common workflows for computing material properties using different quantum engines 2021 npj Computational Materials article Materials Science Machine Learning in Materials Science Open access 40 citations 1 result