REU Site: Computational Methods with applications in Materials Science

REU 网站：计算方法及其在材料科学中的应用

• 批准号: 2348712
• 负责人: Rudolf Clay
• 金额: $ 44.19万
• 依托单位: Mississippi State University
• 依托单位国家: 美国
• 项目类别: Standard Grant
• 财政年份: 2024
• 资助国家: 美国
• 起止时间: 2024-04-01 至 2027-03-31
• 项目状态: 未结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=2348712&HistoricalAwards=false
• 关键词: REU; Site; Computational; Methods; applications

NON-TECHNICAL SUMMARY: Computational methods and data analysis are now widely used to predict the properties of materials and to understand data from materials experiments and simulations. While these computational techniques are commonly taught in graduate programs in science, math, and engineering, few undergraduate students have an opportunity to learn about them or participate in this rapidly expanding research field. Jointly funded by the Division of Materials Research and the Established Program to Stimulate Competitive Research (EPSCoR), this Research Experiences for Undergraduates (REU) site addresses this shortcoming and provides a unique opportunity for undergraduate participants to participate in meaningful research with a group of researchers from the Center for Computational Sciences (CCS), an interdisciplinary computational research center at Mississippi State University (MSU). Participants will spend ten weeks at MSU performing research mentored by faculty from Physics, Chemistry, Mathematics and Statistics, and Engineering. In addition to hands-on research experience, participants will attend weekly seminars and workshops covering topics related to computation, materials, and career development. A significant portion of participants for this REU project are recruited from historically black colleges and universities and primarily undergraduate institutions from across the United States. Graduates of this REU site will be well prepared for graduate study in science, engineering, or mathematics.TECHNICAL SUMMARY: The student participants recruited for this REU spend 10 weeks over the summer in multidisciplinary research with faculty mentors in Mathematics, Statistics, Physics, Chemistry, and Engineering from the CCS. The students are first trained in the basic science and computational techniques necessary for their research projects. Additional training activities improve the participants’ computational skills and written and oral presentation skills. The research projects fall into two general areas: materials simulation and design, and computational data analysis applied to materials. Specific projects include (1) modeling of superfluorescence; (2) electron-electron correlation; (3) machine learning prediction of interatomic forces; (4) multifunctional materials design; (5) numerical methods for time-dependent problems; (6) simulation and design of self-assembled gels; (7) optical properties of polycyclic aromatic hydrocarbons; (8) continuous data assimilation; (9) image denoising and segmentation; and (10) high-dimensional data analysis. REU participants are given access to supercomputing resources at the MSU High Performance Computing Collaboratory. The students participate in the weekly group meetings, seminars and training sessions on scientific and computational topics. At the end of the summer, they present the final results of their project to the REU group and at the MSU Summer Undergraduate Research Symposium.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.

非技术摘要：现在广泛使用计算方法和数据分析来预测材料的特性，并从材料实验和仿真中了解数据。尽管这些计算技术通常是在科学，数学和工程学的研究生课程中教授的，但很少有本科生有机会了解它们或参加这个迅速扩展的研究领域。这项研究经验由材料研究部和既定计划（EPSCOR）共同资助，该研究经验（REU）网站解决了这一缺点，并为本科参与者提供了一个独特的机会，可以让本科参与者与来自计算科学科学中心（CCS）的一组研究人员参与有意义的研究。参与者将在密西根州立大学度过十个星期，从事物理，化学，数学和统计以及工程学的教师的研究。除了动手研究经验外，参与者还将参加每周的半手和讲习班，涵盖与计算，材料和职业发展有关的主题。该REU项目的很大一部分参与者是从历史悠久的黑人学院和大学的小学机构中招募的。该REU网站的毕业生将为科学，工程或数学的研究生学习做好准备。技术摘要：该REU招募的学生参与者在整个夏季在夏季花了10周的时间在多学科研究中与来自CCS的数学，统计，物理，化学和工程学领域的数学，统计，物理，化学和工程学的教师。这些学生首先接受了研究项目所需的基础科学和计算技术培训。其他培训活动提高了参与者的计算技能以及书面和口头表现能力。研究项目属于两个一般领域：材料模拟和设计，以及应用于材料的计算数据分析。特定项目包括（1）超荧光的建模； （2）电子电子相关； （3）机器学习预测； （4）多功能材料设计； （5）用于时间依赖问题的数值方法； （6）自组装凝胶的仿真和设计； （7）多环芳烃的光学性质； （8）连续数据同化； （9）图像降级和分割； （10）高维数据分析。 REU参与者可以在MSU高性能计算协作中访问超级计算资源。学生们参加了有关科学和计算主题的每周小组会议，半小组和培训会议。在夏季结束时，他们将项目的最终结果介绍给REU集团和MSU夏季本科研究研讨会。该奖项反映了NSF的法定任务，并通过评估基金会的知识分子优点和更广泛的影响来评估NSF的法定任务。