REU Site: Computational Modeling and Simulation in Applied Sciences

这个跨学科的REU网站项目将为本科生在新兴的计算科学学科中进行研究、就业和高级学习做好准备——这一学科不仅对科学的进步至关重要，而且对我们国家的经济增长和安全也至关重要。随着更强大的计算工具的出现，计算科学通常被描述为科学的第三支柱，加入传统的理论和实验支柱。学生将以小组为单位，在教师的指导下，使用创新的计算工具来解决应用科学中的问题。学生将通过参加教师主导的研讨会获得基本的技术和专业技能。与教师导师的一对一互动、学生之间的协作、独立探究和指导培训将为学生提供编程、计算建模、仿真、数据分析、可视化、研究管理和沟通方面的宝贵技能。通过REU网站项目进行的研究有可能在材料科学、流行病学、细胞生物学和分子动力学领域产生高影响力、出版质量的结果。有针对性的招聘和选拔工作将确保代表性不足的选区，包括妇女、少数民族、第一代大学生和退伍军人，在该项目中得到充分代表。这个REU网站计划的目标是招募本科生进入快速增长的跨学科计算科学领域。教师将指导学生整合计算和数学/统计理论来解决分子动力学、流行病学、材料科学和细胞生物学方面的问题。研究问题将形成和测试关于生物蛋白质结构的机制假设，产生对对公众健康构成重大威胁的疾病的动力学和控制的见解，解决光学和声学超材料设计中的计算主题，并研究细胞决策的基本原则。这些研究项目，以及一系列双周研讨会，将通过培训学生来支持创新：a) Python编程，包括可读性、文档、共享和代码结构的最佳实践；b)用于模型开发、数据分析和可视化的工具（例如MDAnalysis、Comsol和Pymol）和技术（例如机器学习、灵敏度分析和参数估计）。我们鼓励在数学、计算机科学、物理或生物方面有很强背景，并对应用科学和计算有浓厚兴趣的学生申请。该奖项反映了美国国家科学基金会的法定使命，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。

This interdisciplinary REU Site program will prepare undergraduates for research, employment, and advanced study in the emerging discipline of Computational Science - a discipline that is critical not only for the advancement of science, but for our nation's economic growth and security. With the advent of more powerful computing tools, computational science is often described as the third pillar of science, joining the traditional pillars of theory and experiment. Students will work in small groups and with faculty guidance while employing innovative computational tools to solve problems in applied science. Students will acquire essential technical and professional skills by participating in faculty-led workshops. One-on-one interactions with faculty mentors, collaboration between students, independent inquiry, and guided training will provide students with valuable skills in programming, computational modeling, simulation, data analysis, visualization, research management, and communication. The research conducted through this REU Site program has the potential to produce high-impact, publication-quality results in the fields of materials science, epidemiology, cellular biology, and molecular dynamics. Targeted recruiting and selection efforts will ensure that under-represented constituencies, including women, minority, first generation college, and veteran students, are well represented in the program.The objective of this REU Site program is to recruit undergraduate students into the fast growing, and interdisciplinary field of computational science. Faculty will mentor students as they integrate computation and mathematical/statistical theory to solve problems in molecular dynamics, epidemiology, materials science, and cellular biology. Research problems will form and test mechanistic hypotheses about the structure of biological proteins, yield insights into the dynamics and control of diseases that pose a major threat to public health, address computational topics in the design of optical and acoustical metamaterials, and investigate fundamental principles of cellular decision-making. These research projects, together with a series of bi-weekly workshops, will support innovation by training students in a) Python programming, including best practices for readability, documentation, sharing, and structuring of code and b) tools (e.g. MDAnalysis, Comsol, and Pymol) and techniques (e.g., machine learning, sensitivity analysis, and parameter estimation) for model development, data analysis, and visualization. Students with a strong background in mathematics, computer science, physics, or biology, and an intense interest in applied science and computation are encouraged to apply.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.