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Results for “ecosystems for scientific computing”

Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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148 records · Page 9

Air temperature and precipitation constraining the modelled wetland methane emissions in a boreal region in northern Europe

Wetland methane responses to temperature and precipitation are studied in a boreal wetland-rich region in northern Europe using ecosystem process models. Six ecosystem models (JSBACH-HIMMELI, LPX-Bern, LPJ-GUESS, JULES, CLM4.5, and CLM5) are compared to multi-model means of ecosystem models and atmospheric inversions from the Global Carbon Project and upscaled eddy covariance flux results for their temperature and precipitation responses and seasonal cycles of the regional fluxes. Two models with contrasting response patterns, LPX-Bern and JSBACH-HIMMELI, are used as priors in atmospheric inversions with Carbon Tracker Europe–CH4 (CTE-CH4) in order to find out how the assimilation of atmospheric concentration data changes the flux estimates and how this alters the interpretation of the flux responses to temperature and precipitation. Inversion moves wetland emissions of both models towards co-limitation by temperature and precipitation. Between 2000 and 2018, periods of high temperature and/or high precipitation often resulted in increased emissions. However, the dry summer of 2018 did not result in increased emissions despite the high temperatures. The process models show strong temperature and strong precipitation responses for the region (51 %–91 % of the variance explained by both). The month with the highest emissions varies from May to September among the models. However, multi-model means, inversions, and upscaled eddy covariance flux observations agree on the month of maximum emissions and are co-limited by temperature and precipitation. The setup of different emission components (peatland emissions, mineral land fluxes) has an important role in building up the response patterns. Considering the significant differences among the models, it is essential to pay more attention to the regional representation of wet and dry mineral soils and periodic flooding which contribute to the seasonality and magnitude of methane fluxes. The realistic representation of temperature dependence of the peat soil fluxes is also important. Furthermore, it is important to use process-based descriptions for both mineral and peat soil fluxes to simulate the flux responses to climate drivers.

54 ENVIRONMENTAL SCIENCES↗

DOE Repository Metadata Profile (DRMP): A Metadata Framework for Advancing Interoperability and AI Readiness Across Scientific Repositories

The Department of Energy (DOE) funds a diverse and distributed ecosystem of repositories that steward scientific data, publications, and software across its research programs, user facilities, and national laboratories. While significant progress has been made in standardizing dataset-level metadata, the metadata describing repositories themselves (their identity, governance, access interfaces, policies, and technical capabilities) remains inconsistent and fragmented across DOE-funded systems. This variability limits discoverability, interoperability, automated validation, and AI-driven analysis, all of which are increasingly essential for modern scientific workflows. To address this gap, the DOE Data Curation Working Group (DCWG) developed the DOE Repository Metadata Profile (DRMP). The DRMP is a practical, community-driven framework that defines how repositories can describe themselves in a consistent, machine-actionable, and scalable manner. The DRMP is not a new metadata schema. Instead, it is a mapping profile and structured element set capturing the essential characteristics of DOE repositories. It harmonizes repository-level metadata across six widely adopted community schemas: RE3Data; DCAT-US v3; Schema.org; Dublin Core; DataCite 4.6; and PREMIS 3.0. This harmonization eliminates reinvention and enables interoperability within DOE and across the broader scientific ecosystem. A core objective of the DRMP is to reduce burden on repositories by allowing them to reuse their existing metadata through a Rosetta-style crosswalk rather than redesigning local implementations. The profile introduces a three-level conformance model that supports incremental adoption: • Level 1 – Minimum Viable Record (MVR): foundational identification elements required for workflows, project registration, and basic repository presence. • Level 2 – Interoperable: structured metadata enabling alignment with national and international discovery systems. • Level 3 – AI-Ready: enhanced provenance, policy transparency, fixity, semantic context, and capabilities that support automated reasoning, model training governance, and machine-assisted curation. To support implementation, the DRMP includes JSON Schema definitions, OpenAPI patterns, and MCP templates that allow repositories to publish machine-readable metadata directly within existing platforms. These resources are modular and lightweight, enabling adoption without major architectural change. Adopting the DRMP enables repositories to: • Enhance discoverability and interoperability by aligning identifiers, classifications, and descriptive elements across widely used schema standards. • Support federated discovery and cross-registration across DOE systems, Data.gov, and international catalogs. • Enable AI agents and workflow orchestration systems to interpret repository-level metadata within the American Science Cloud (AmSC) through Model Context Protocol (MCP)-based context publication. • Demonstrate alignment with DOE’s open science, stewardship, and FAIR data priorities. This guidance represents a community-driven step forward. Through voluntary adoption and continued feedback, the DRMP advances a cohesive, machine-actionable description of DOE repositories that supports FAIR data practices, preparing the infrastructure for AI-enabled research, and strengthening the discoverability and reuse of DOE’s scientific outputs.

96 KNOWLEDGE MANAGEMENT AND PRESERVATION↗

Analysis Facilities for the HL-LHC White Paper

This white paper presents the current status of the R&D for Analysis Facilities (AFs) and attempts to summarize the views on the future direction of these facilities. These views have been collected through the High Energy Physics (HEP) Software Foundation’s (HSF) Analysis Facilities forum (HSF Analysis Facilities Forum), established in March 2022, the Analysis Ecosystems II workshop (Analysis Ecosystems Workshop II), that took place in May 2022, and the WLCG/HSF pre-CHEP workshop (WLCG–HSF pre-CHEP Workshop), that took place in May 2023. The paper attempts to cover all the aspects of an analysis facility.

97 MATHEMATICS AND COMPUTING↗

MIBiG 4.0: advancing biosynthetic gene cluster curation through global collaboration

Specialized or secondary metabolites are small molecules of biological origin, often showing potent biological activities with applications in agriculture, engineering and medicine. Usually, the biosynthesis of these natural products is governed by sets of co-regulated and physically clustered genes known as biosynthetic gene clusters (BGCs). To share information about BGCs in a standardized and machine-readable way, the Minimum Information about a Biosynthetic Gene cluster (MIBiG) data standard and repository was initiated in 2015. Since its conception, MIBiG has been regularly updated to expand data coverage and remain up to date with innovations in natural product research. Here, we describe MIBiG version 4.0, an extensive update to the data repository and the underlying data standard. In a massive community annotation effort, 267 contributors performed 8304 edits, creating 557 new entries and modifying 590 existing entries, resulting in a new total of 3059 curated entries in MIBiG. Particular attention was paid to ensuring high data quality, with automated data validation using a newly developed custom submission portal prototype, paired with a novel peer-reviewing model. MIBiG 4.0 also takes steps towards a rolling release model and a broader involvement of the scientific community. MIBiG 4.0 is accessible online at https://mibig.secondarymetabolites.org/.

59 BASIC BIOLOGICAL SCIENCES↗