CRCD: Integration of High Performance Computing in Nanotechnology: A Combined Research in the Curricular Development

0203481Lloyd L. lee俄克拉何马大学“CRCD：纳米技术中高性能计算的集成：课程开发中的综合研究”这是一个多机构（俄克拉何马大学和伍斯特理工学院）和多学科项目，涉及化学工程、计算机科学和教育技术部门。该项目致力于纳米技术和计算科学领域的整合；在过去几年中经历了快速发展的科学和工程领域。该项目通过建立一个课程，将高性能计算和计算纳米技术的最新发展结合起来，综合了这两个学科。为期三年的课程包括五个要素：(1)纳米材料的制造和表征；(2)高性能计算与分子模拟；(3)用于纳米结构材料制造和测试的湿式实验室实验；(4)利用国家纳米加工用户网络（NNUN）设计纳米器件；(5)纳米技术专题讲座。计算科学材料被打包成便携式模块，可以应用于其他科学学科，如计算流体动力学和生物信息学。在计算科学的背景下，该项目有几个目标：(1)它灌输了对性能的足够兴趣和对相关问题的欣赏，这样学生就会养成将性能问题纳入软件设计的各个方面的习惯，特别是在初始设计阶段；(2)学生将学习性能的基本问题，特别是并行性能，从而培养改进和评估软件优化的能力。(3)学生将学习将问题从物理描述转化为数学表示，然后转化为算法规范，最后转化为软件实现所需的方法；(4)学生将掌握适当测试、验证和评估其软件所需的方法和理解。在这种情况下，性能涉及两个方面：算法和实现。(5)承担学生的专业发展，培养学生跨学科项目管理能力。特别是，学生将学会利用工程、数学和计算机科学之间的协同作用，以便充分利用现有资源并评估未来努力所需的资源。

0203481Lloyd L. LeeUniversity of Oklahoma"CRCD: Integration of High Performance Computing in Nanotechnology: A Combined Research in the Curricular Development"This is a multi-institutional (University of Oklahoma and Worcester Polytechnic Institute) and multi-disciplinary project, involving departments of chemical engineering, computer science, and educational technology. The project addresses the integration of the fields of nano-technology and computational science; areas of science and engineering that have experienced fast-paced developments in the past few years. The project synthesizes these two disciplines by establishing a curriculum that will combine the latest developments in high performance computing with computational nano-technology. A three-year curriculum consists of five elements: (1) nano-materials manufacture and characterization; (2) high performance computing and molecular simulation; (3) wet laboratory experiments for manufacture and testing of nano-structured materials; (4) design of nano-devices with the help of the National Nanofabrication UsersNetwork (NNUN); and (5) lectures from invited guest speakers in nano-technology. The computational science materials are packaged as portable modules that can be applied to other scientific disciplines, such as computational fluid dynamics and bio-informatics. In the context of computational science, the project has several goals: (1) It inculcates a sufficient level of interest in performance and an appreciation for the associated issues, so that students will develop the habit of incorporating performance issues into every aspect of software design, and especially in initial design phases; (2) Students will learn about the fundamental issues of performance, especially parallel performance, thereby creating the ability to improve and evaluate software optimization. (3) Students will be educated in the methodologies required to transform a problem from physical description to mathematical representation, then to algorithmic specification, and finally to software implementation; (4) Students will acquire the means and understanding necessary for proper testing, validation and evaluation of their software. In this context, performance involves two aspects: algorithm and implementation. (5) It undertakes the professional development of students, cultivating their abilities in interdisciplinary project management. In particular, the students will learn to leverage the synergies between engineering, mathematics and computer science, in order both to fully exploit available resources and to evaluate the resources required for future endeavors.