November 16, 2020 article Open access Workflows in AiiDA: Engineering a high-throughput, event-based engine for robust and modular computational workflows Computational Materials Science DOI: 10.1016/j.commatsci.2020.110086 Full text (OA) OpenAlex Authors 0 Author list not loaded yet. Cited by 7 stored of 180 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 Application of batch learning for boosting high-throughput ab initio success rates and reducing computational effort required using data-driven processes 2025 Electronic Structure article Materials Science Machine Learning in Materials Science Open access 2 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 First-principles Phonon Calculations with Phonopy and Phono3py 2022 Journal of the Physical Society of Japan article Physics and Astronomy Advanced Chemical Physics Studies Open access cited by 1 patent 1,840 citations The AiiDA-Spirit Plugin for Automated Spin-Dynamics Simulations and Multi-Scale Modeling Based on First-Principles Calculations 2022 Frontiers in Materials article Physics and Astronomy Magnetic properties of thin films Open access 4 citations Quantum Chemistry Common Driver and Databases (QCDB) and Quantum Chemistry Engine (QCE ngine ): Automation and interoperability among computational chemistry programs 2021 The Journal of Chemical Physics article Physics and Astronomy Advanced Chemical Physics Studies Open access 52 citations 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 7 results References 0