NRT-HDR: AI-enabled Molecular Engineering of Materials and Systems (AIMEMS) for Sustainability

NRT-HDR：支持可持续发展的人工智能支持的材料和系统分子工程(AIMEMS)分子工程是一个动态和不断发展的领域，它将分子水平的科学应用于实验、理论和计算方法，以设计先进的材料、工艺、设备和系统。从分子水平的概念和原理出发，为有针对性的设计和针对特定应用的材料/系统属性的精细调整提供了令人兴奋的机会。专注于以可持续发展为驱动的受使用启发的研究将带来巨大的社会效益。人工智能(AI)是一种强大的工具，它正在迅速改变社会的几乎方方面面。通过将人工智能与分子工程相结合，这一研究实习生将在可持续发展的现代框架内为工程复杂、多功能的材料、工艺和系统开辟新的视野，并将极大地加速科学发现和技术创新。这项授予芝加哥大学(UChicago)的国家科学基金会研究培训(NRT)奖将在可持续发展的人工智能使能的材料和系统的分子工程知识的前沿培养新一代研究生领袖。该计划将通过有意将可转移的专业技能与从材料科学到计算机科学和社会科学的跨学科技术技能整合到课程设计和论文研究项目中，培训近150名学生，其中包括由该基金直接资助的20名学生。通过与阿贡国家实验室和行业合作伙伴的战略合作伙伴关系，该计划将进一步利用世界级的专业知识和独特的设施，培训学生走向一系列研究和研究相关的职业道路，无论是在学术界还是在学术界之外。NRT项目的毕业生将具备技术和专业技能，以有效地领导一个跨学科团队，在快速发展的环境中负责任地解决全球挑战。技术内容将通过现有的核心分子工程课程和四门新课程以及专门设计的相关模块来教授学生如何使用Argonne的世界级设施，如高级光子源升级(APS-U)、Aurora亿级超级计算机和材料工程研究设施(MERF)。学生将参加专门设计的专业培训计划，特别是在科学交流、教学和指导、领导力和管理以及职业探索和准备方面。NRT实习生将由一名芝加哥大学教师、一名阿贡科学家和一名行业顾问组成的团队共同建议，为研究生提供最丰富的经验。他们将在各种软、硬材料的分子工程方面开展以团队为基础的、聚合的研究项目，并将这些材料组装成水、能源、聚合物和可持续应用的系统。该项目将导致加州大学芝加哥分校的可持续培训计划，包括一个新的计算分子工程硕士学位计划。该计划完全致力于通过与国家科学基金会和少数群体服务机构的合作，深化教育对科学、技术、工程和数学(STEM)多样性的影响。该计划有可能成为通过战略性、包容性的大学-国家实验室-行业合作伙伴关系培养下一代人工智能授权的研究生领导者的国家典范。NSF研究培训(NRT)计划旨在鼓励为STEM研究生教育培训开发和实施大胆的、具有潜在变革性的新模式。该计划致力于通过创新的、基于证据的、与不断变化的劳动力和研究需求保持一致的综合实习生模式，在高度优先的跨学科或趋同研究领域对STEM研究生进行有效培训。该奖项反映了NSF的法定使命，并通过使用基金会的智力优势和更广泛的影响审查标准进行评估，被认为值得支持。

NRT-HDR: AI-enabled Molecular Engineering of Materials and Systems (AIMEMS) for SustainabilityMolecular engineering is a dynamic and evolving field that applies molecular-level science in experimental, theoretical, and computational approaches to engineer advanced materials, processes, devices, and systems. Starting from molecular level concepts and principles offers exciting opportunities for targeted design and exquisite tuning of material/system properties for specific applications. Focusing on use-inspired research driven by sustainability will lead to substantial societal benefits. Artificial Intelligence (AI) is a powerful tool that is rapidly transforming almost every aspect of society. By integrating AI with molecular engineering, this research traineeship will open new horizons for engineering complex, multifunctional materials, processes, and systems within a modern framework of sustainability, and will dramatically accelerate scientific discovery and technological innovation. This National Science Foundation Research Traineeship (NRT) award to the University of Chicago (UChicago) will train a new generation of graduate student leaders at the frontiers of knowledge in AI-enabled molecular engineering of materials and systems for sustainability. The program will train nearly one hundred and fifty (150) students, including twenty (20) directly funded by this grant, by intentionally integrating transferrable professional skills with interdisciplinary technical skills ranging from materials science to computer science and social science into the curricular design and thesis research projects. Through a strategic partnership with Argonne National Laboratory and with industrial collaborators, the program will further leverage world-class expertise and unique facilities to train students toward a range of research and research-related career pathways, both within and outside academia. Graduates from the NRT program will be equipped with technical and professional skills to effectively lead an interdisciplinary team to responsibly solve global challenges in a rapidly evolving environment. Technical content will be delivered through existing core molecular engineering courses, and through four new courses with relevant modules specifically designed to teach students how to use Argonne’s world-class facilities such as Advanced Photon Sources – Upgrade (APS-U), Aurora exascale supercomputer, and Materials Engineering Research Facility (MERF). Students will take part in specifically designed professional training programs, particularly in science communication, teaching & mentoring, leadership & management, and career exploration and preparedness. NRT trainees will be co-advised by a team consisting of a UChicago faculty, an Argonne scientist, and an industry advisor to provide the most enriching experience for graduate students. They will carry out team-based, convergent research projects in molecular engineering of various soft and hard materials and assembly of these materials into systems toward water, energy, polymer, and sustainability applications. The project will lead to sustainable training programs at UChicago including a new MS degree program in computational molecular engineering. The program is fully dedicated to deepening the educational impact on Science, Technology, Engineering, and Mathematics (STEM) diversity through partnership with NSF INCLUDES and minority-serving institutions. The program has the potential to serve as a national model for training next-generation AI-empowered graduate student leaders through strategic, inclusive university-national laboratory-industry partnerships.The NSF Research Traineeship (NRT) Program is designed to encourage the development and implementation of bold, new potentially transformative models for STEM graduate education training. The program is dedicated to effective training of STEM graduate students in high priority interdisciplinary or convergent research areas through comprehensive traineeship models that are innovative, evidence-based, and aligned with changing workforce and research needs.This award reflects NSF's statutory mission and has been deemed worthy of support through evaluation using the Foundation's intellectual merit and broader impacts review criteria.