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Collaborative Proposal: NSF Summer School on Computational Modeling of Disordered Materials for Historically Black Colleges and Universities

合作提案：美国国家科学基金会暑期学校，为历史上的黑人学院和大学提供无序材料的计算建模

基本信息

批准号：
1833035
负责人：
Parthapratim Biswas
金额：
$ 11.55万
依托单位：
University of Southern Mississippi
依托单位国家：
美国
项目类别：
Standard Grant
财政年份：
2018
资助国家：
美国
起止时间：
2018-09-01 至 2021-08-31
项目状态：
已结题

来源：
https://www.nsf.gov/awardsearch/showAward?AWD_ID=1833035&HistoricalAwards=false
关键词：
Collaborative Proposal NSF Summer Computational

项目摘要

SUMMARYThis award supports an intensive training workshop for students and faculty members from Historically Black Colleges and Universities (HBCU) and Minority Serving Institutions (MSI) on computational modeling of complex materials, with an emphasis on the fundamental concepts of physics, chemistry and materials science. The participants will learn and employ a variety of modern structural modeling techniques and widely used computer simulation methodologies to understand and analyze the properties of highly complex and technologically important disordered materials. The workshop will adopt a lecture-laboratory approach, whereby each lecture is followed by hands-on computational "laboratory" exercises, aimed at illustrating how information from the lecture can be directly employed for practical simulations of complex materials. The topics to be addressed in the laboratory exercises are: structural modeling techniques on the length scale of atoms, analyses of structural properties, geometry optimization, electronic and vibrational properties, as well as thermodynamic properties of different types of disordered materials. The participants will also be introduced to the fundamentals of emerging data-centric and machine-learning techniques in materials modeling. The workshop will: (i) expose students to a wide range of state-of-the-art computer simulation techniques, and the applications of these techniques to real-world problems; (ii) bridge the gap between the standard teaching curriculum at the undergraduate and graduate levels and the actual expertise and knowledge that are needed for practicing computational materials science even at its basic level; (iii) develop collaborative initiatives between HBCUs and state-funded and private universities to initiate research in computational modeling of complex materials. The PIs will provide post-workshop support for a period of six months so that participants may develop small publishable research projects on their return to their home institutions.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.

该奖项支持为来自历史上黑人学院和大学（HBCU）和少数民族服务机构（MSI）的学生和教职员工举办关于复杂材料计算建模的强化培训研讨会，重点是物理，化学和材料科学的基本概念。参与者将学习和采用各种现代结构建模技术和广泛使用的计算机模拟方法来理解和分析高度复杂且技术上重要的无序材料的特性。研讨会将采用讲座-实验室方法，即每次讲座之后都进行动手计算“实验室”练习，旨在说明如何将讲座中的信息直接用于复杂材料的实际模拟。在实验室练习中要解决的主题是：原子长度尺度上的结构建模技术，结构特性分析，几何优化，电子和振动特性，以及不同类型的无序材料的热力学特性。与会者还将介绍材料建模中新兴的以数据为中心和机器学习技术的基本原理。讲习班将：（i）让学生接触到广泛的最先进的计算机模拟技术，以及这些技术在现实世界问题中的应用;（ii）弥合本科和研究生水平的标准教学课程与实践计算材料科学所需的实际专业知识和知识之间的差距，即使是在其基础水平;（iii）制定HBCU与国家资助和私立大学之间的合作倡议，以启动复杂材料计算建模的研究。PI将提供为期六个月的研讨会后支持，以便参与者可以在返回其家乡机构时开发小型可持续的研究项目。该奖项反映了NSF的法定使命，并通过使用基金会的知识价值和更广泛的影响审查标准进行评估，被认为值得支持。