March 15, 2019 article Open access pyiron: An integrated development environment for computational materials science Computational Materials Science DOI: 10.1016/j.commatsci.2018.07.043 Full text (OA) OpenAlex Authors 0 Author list not loaded yet. Cited by 9 stored of 158 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 Supporting AI Readiness Through Digital Workflows in Materials Science 2026 Advanced Engineering Materials article Decision Sciences Scientific Computing and Data Management Open access 1 citations A Lightweight Procedural Layer for Hybrid Experimental–Computational Workflows in Materials Science 2026 Advanced Engineering Materials article Decision Sciences Scientific Computing and Data Management Open access 1 citations ChemRefine: An Open-Source Automated and Interoperable Platform for Machine Learning and Quantum Chemistry Simulations 2026 Journal of Chemical Theory and Computation article Materials Science Machine Learning in Materials Science Open access 4 citations Towards sustainable exploration of chemical spaces with machine learning 2026 Digital Discovery article Materials Science Machine Learning in Materials Science Open access 0 citations Advancing Digital Transformation in Material Science: The Role of Workflows Within the MaterialDigital Initiative 2025 Advanced Engineering Materials article Decision Sciences Scientific Computing and Data Management Open access 18 citations Atomate2: modular workflows for materials science 2025 Digital Discovery article Materials Science Machine Learning in Materials Science Open access 43 citations Digital Transformation in Materials Science: A User Journey of Nanoindentation, Image Analysis and Simulations 2025 Data Science Journal article Decision Sciences Scientific Computing and Data Management Open access 1 citations Automated Workflow for Phase‐Field Simulations: Unveiling the Impact of Heat‐Treatment Parameters on Bainitic Microstructure in Steel 2024 Advanced Engineering Materials article Engineering Microstructure and Mechanical Properties of Steels Open access 3 citations Cloud-Based ICME Software Training 2020 Education Sciences article Computer Science Innovative Educational Technologies Open access 2 citations 9 results References 0