Computational and Data driven Materials Research | Apply Online

Opportunity Summary:

The National Science Foundation (NSF), through its Division of Materials Research (DMR), offered the "Computational and Data driven Materials Research" grant opportunity to support materials research where computation, data-centric methods, or theory serve as the primary drivers of discovery. The core idea is to capitalize on modern advances in simulation, theoretical modeling, and data-enabled approaches (including data mining and other data-intensive strategies) to accelerate progress in fundamental materials science, often in close coordination with experiments. Projects are expected to push beyond incremental improvements by using these approaches in ways that meaningfully change how materials questions are asked and answered.

This program is aimed at a broad range of materials topics and scales. Example areas of interest include designing and preparing new materials, understanding how structure forms and evolves (and how it can be controlled), nanoscale materials, and multiscale property prediction and optimization. The scope is intentionally broad and is meant to cover topical, disciplinary, and interdisciplinary areas already represented across DMR. What distinguishes this program from other DMR programs is primarily the approach: successful proposals may lean more heavily toward simulations and data-driven work, with less emphasis on developing entirely new algorithms or deep theory than programs like CMMT, while still allowing (and often encouraging) strong experimental integration or substantial data-mining components.

A central theme is tight integration between computational/data/theory activities and experimental work, with either side capable of taking the lead. A strong proposal might, for instance, use modeling or data analytics to guide experiments that validate predictions and reveal new mechanisms, or it might use experimental results to steer simulations and theory toward resolving gaps in understanding. The expectation is that the interplay is purposeful and well-structured, not simply parallel efforts. The goal is transformative research that advances fundamental understanding of materials or materials-related phenomena, especially where existing theory is incomplete or direct computation is too expensive or impractical.

The solicitation also highlights interest in practical digital research outputs that materially advance the field. This includes creating software tools or databases that are validated through synthesis and/or experimental verification, particularly when they help overcome imperfect theoretical understanding or computational intractability. In addition, proposals that combine computation or data-centric work with innovative instrumentation are explicitly encouraged when the result is a transformative new toolset for materials research. Another emphasized direction is the creation of new research paradigms through novel uses of digital data, where data practices do not just support existing workflows but substantially enhance or reshape computational, experimental, and theoretical methods for discovering new materials, identifying new phenomena, and strengthening fundamental insight.

Finally, the program notes support for materials research knowledge portals that integrate multiple kinds of materials data, including experimental datasets and results derived from simulation or theory. The purpose of these portals is to organize, improve, and broadly disseminate the digital products of materials research so they are more accessible and useful to the wider community, effectively turning scattered data and tools into shared infrastructure that can accelerate discovery across many projects.

Administratively, this was a discretionary NSF grant opportunity in the science and technology research and development category (CFDA 47.049, Mathematical and Physical Sciences). Eligibility was listed as unrestricted (open to any entity type, subject to any clarifications in the full text). No cost sharing was required. The opportunity (Funding Opportunity Number PD 12 8029) was posted on August 2, 2012, with a submission window running from September 1, 2012 through October 31, 2012 (due by 5 p.m. local time). The listing shows "ExpectedAwards: 0" and "EstimatedTotalFunding: 0," which typically indicates that awards and funding levels were not specified in the summary record and would depend on NSF’s internal budgeting and proposal selection. For access issues, the notice directed applicants to NSF Grants.gov support at grantsgovsupport@nsf.gov.

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