BD Spokes: SPOKE: MIDWEST: Collaborative: Integrative Materials Design (IMaD): Leverage, Innovate, and Disseminate

BD 辐条：辐条：中西部：协作：集成材料设计 (IMaD)：利用、创新和传播

• 批准号: 1636950
• 负责人: Ian Foster
• 金额: $ 72.25万
• 依托单位: University of Chicago
• 依托单位国家: 美国
• 项目类别: Standard Grant
• 财政年份: 2017
• 资助国家: 美国
• 起止时间: 2017-02-15 至 2022-01-31
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=1636950&HistoricalAwards=false
• 关键词: BD; Spokes; SPOKE; MIDWEST; Collaborative

Materials innovation is a pipeline, deriving from a deep understanding and control of material behavior and properties, leading to advanced materials designs that advance economic prosperity, address national and regional energy needs, and bolster national security. Improving this pipeline requires connecting independent but thematically congruent national and regional materials design efforts to align key stakeholders, consolidate diverse materials data expertise, simplify data access, coalesce on topics of data description and interoperability, enhance and ensure the quality of datasets, and deploy scalable data services to support materials researchers. The Midwest Big Data Spoke (MBD Spoke) for Integrative Materials Design (IMaD) connects researchers in industry, universities, and government to the people and services needed to easily find, access, and use data, tools, and services for materials design. The Midwest is the ideal place for such a program. Many major national materials design efforts funded by DOE, NIST, and NSF as part of the Materials Genome Initiative (MGI) operate in the Midwest, and the Midwest is home to major manufacturing industries that depend critically on materials innovation for their continued competitiveness.The technical work of IMaD will involve integration of software and services from across the Midwest and beyond, including the Materials Commons, the Materials Data Facility, NIST Materials Resource Registry, and Citrine Informatics, to enable smooth flow of software and data among these different systems. For example, integrated authentication provided by Globus Auth will enable access to different components with common credentials (e.g., institutional credentials), and integration of Globus transfer will allow for rapid and reliable exchange of large datasets. Common schemas and metadata terms will be developed and deployed to permit cross-system searching and display of information. Materials data from partners across the Midwest and beyond will be loaded into the Material Data Facility to permit easy discovery and access. Concurrently with these and other development activities, a series of workshops and meetings will be convened to engage academic, government, and industry participants in defining requirements for, and making use of, the integrated system for materials design.This award received co-funding from the Math and Physical Sciences Directorate (MPS) Division of Materials Research (DMR).

材料创新是一条管道，源于对材料行为和特性的深刻理解和控制，导致先进的材料设计，促进经济繁荣，满足国家和地区能源需求，并加强国家安全。改进这一管道需要连接独立但主题一致的国家和地区材料设计工作，以协调主要利益相关者，整合不同的材料数据专业知识，简化数据访问，合并数据描述和互操作性主题，增强和确保数据集的质量，并部署可扩展的数据集支持材料研究人员的数据服务。用于集成材料设计 (IMaD) 的中西部大数据辐条 (MBD 辐条) 将工业、大学和政府的研究人员与轻松查找、访问和使用材料设计的数据、工具和服务所需的人员和服务联系起来。中西部是实施此类计划的理想地点。作为材料基因组计划 (MGI) 的一部分，美国能源部、美国国家标准技术研究院和美国国家科学基金会资助的许多主要国家材料设计工作都在中西部开展，而中西部是主要制造业的所在地，这些制造业的持续竞争力严重依赖于材料创新。 IMaD 的技术工作将涉及中西部及其他地区的软件和服务的集成，包括 Materials Commons、Materials Data Facility、NIST Materials Resource Registration 和 Citrine Informatics，以实现软件和数据在这些机构之间的顺畅流动不同的系统。例如，Globus Auth 提供的集成身份验证将允许使用通用凭证（例如机构凭证）访问不同的组件，而 Globus 传输的集成将允许快速可靠地交换大型数据集。将开发和部署通用模式和元数据术语，以允许跨系统搜索和信息显示。来自中西部及其他地区合作伙伴的材料数据将被加载到材料数据设施中，以便轻松发现和访问。在这些和其他开发活动的同时，还将召开一系列研讨会和会议，让学术界、政府和行业参与者参与定义材料设计集成系统的要求并利用该系统。该奖项获得了以下机构的共同资助：数学和物理科学局 (MPS) 材料研究部 (DMR)。

项目成果

Machine learning prediction of accurate atomization energies of organic molecules from low-fidelity quantum chemical calculations

• DOI: 10.1557/mrc.2019.107
• 发表时间: 2019-06
• 期刊: MRS Communications
• 影响因子: 1.9
• 作者: Logan T. Ward;B. Blaiszik;Ian T. Foster;R. Assary;B. Narayanan;L. Curtiss

A data ecosystem to support machine learning in materials science

• DOI: 10.1557/mrc.2019.118
• 发表时间: 2019-12-01
• 期刊: MRS COMMUNICATIONS
• 影响因子: 1.9
• 作者: Blaiszik, Ben;Ward, Logan;Foster, Ian
• 通讯作者: Foster, Ian

Virtual Excited State Reference for the Discovery of Electronic Materials Database: An Open-Access Resource for Ground and Excited State Properties of Organic Molecules

• DOI: 10.1021/acs.jpclett.9b02577
• 发表时间: 2019-11-07
• 期刊: JOURNAL OF PHYSICAL CHEMISTRY LETTERS
• 影响因子: 5.7
• 作者: Abreha, Biruk G.;Agarwal, Snigdha;Lopez, Steven A.
• 通讯作者: Lopez, Steven A.

Crowd-Sourced Data and Analysis Tools for Advancing the Chemical Vapor Deposition of Graphene: Implications for Manufacturing

促进石墨烯化学气相沉积的众包数据和分析工具：对制造业的影响

• DOI: 10.1021/acsanm.0c02018
• 发表时间: 2020
• 期刊: ACS Applied Nano Materials
• 影响因子: 5.9
• 作者: Schiller, Joshua A.;Toro, Ricardo;Shah, Aagam;Surana, Mitisha;Zhang, Kaihao;Robertson, Matthew;Miller, Kristina;Cruse, Kevin;Liu, Kevin;Seong, Bomsaerah
• 通讯作者: Seong, Bomsaerah