September 11, 2026 article Open access Machine learning-accelerated calculation of diffusion coefficients in crystalline structures from molecular dynamics Computational Materials Science DOI: 10.1016/j.commatsci.2026.115079 Full text (OA) OpenAlex Authors 0 Author list not loaded yet. Cited by 0 stored of 0 References 2 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 Machine-learning-based surrogate modeling of microstructure evolution using phase-field 2022 Computational Materials Science article Materials Science Machine Learning in Materials Science 62 citations A general expression for the statistical error in a diffusion coefficient obtained from a solid‐state molecular‐dynamics simulation 2023 Journal of Computational Chemistry article Chemistry Advanced Physical and Chemical Molecular Interactions Open access 22 citations 2 results