arXiv:2603. 29152v2 Announce Type: replace Abstract: Metal-organic frameworks (MOFs) offer a vast design space, and as such, computational simulations play a critical role in predicting their structural and physicochemical properties.
Summary generated by The Flow from the publisher's feed. The full article lives at arXiv AI.
arXiv:2505. 04997v3 Announce Type: replace Abstract: Computational fluid dynamics (CFD) has been the main workhorse of computational physics, yet its steep learning curve and fragmented, multi-stage workflow create significant barriers to entry.
arXiv:2607. 16845v1 Announce Type: new Abstract: Scientists at European XFEL conduct experiments that generate very large and complex datasets.
arXiv:2608. 04942v1 Announce Type: cross Abstract: CheMLFlow is an open-source platform for building and executing end-to-end, high-throughput, and agentic workflows for scientific and technological applications.
CheMLFlow is an open-source platform for building and executing end-to-end, high-throughput, and agentic workflows for scientific and technological applications. CheMLFlow targets a common bottleneck in scientific machine learning development, where researchers often need to assemble data acquisition, curation, representation, model training, validation, screening, interpretation, and reporting into a reproducible pipeline, even when their primary research contribution concerns only one stage.
arXiv:2608. 03600v1 Announce Type: new Abstract: Partial differential equations (PDEs) become actionable in science and engineering not as isolated formulae, but as executable workflows that connect modelling assumptions, governing equations, numerical solvers, diagnostics, and decisions.
arXiv:2608. 10039v1 Announce Type: new Abstract: Agentic workflows have become an important abstraction for building reliable LLM-based automation systems by organizing large language models (LLMs), tools, and control logic into explicit execution structures.