Angela B. Shiflet

Introduction to Computational Science: Modeling and Simulation for the Sciences

Computational science is an exciting new field at the intersection of the sciences, computer science, and mathematics because much scientific investigation now involves computing as well as theory and experiment. This textbook provides students with a versatile and accessible introduction to the subject. It assumes only a background in high school algebra, enables instructors to follow tailored pathways through the material, and is the only textbook of its kind designed specifically for an introductory course in the computational science and engineering curriculum. While the text itself is generic, an accompanying website offers tutorials and files in a variety of software packages. This fully updated and expanded edition features two new chapters on agent-based simulations and modeling with matrices, ten new project modules, and an additional module on diffusion. Besides increased treatment of high-performance computing and its applications, the book also includes additional quick review questions with answers, exercises, and individual and team projects. The only introductory textbook of its kind--now fully updated and expandedFeatures two new chapters on agent-based simulations and modeling with matricesIncreased coverage of high-performance computing and its applicationsIncludes additional modules, review questions, exercises, and projectsAn online instructors manual with exercise answers, selected project solutions, and a test bank and solutions (available only to professors)An online illustration package is available to professors Angela B. Shiflet is the Larry Hearn McCalla Professor of Mathematics and Computer Science and director of computational science at Wofford College. George W. Shiflet is the Larry Hearn McCalla Professor of Biology at Wofford College.

Undergraduate Computational Science and Engineering Education

It is widely acknowledged that computational science and engineering (CSE) will play a critical role in the future of the scientific discovery process and engineering design. However, in recent years computational skills have been deemphasized in the curricula of many undergraduate programs in science and engineering. There is a clear need to provide training in CSE fundamentals at the undergraduate level. An undergraduate CSE program can train students for careers in industry, education, and for graduate CSE study. The courses developed for such a program will have an impact throughout the science, technology, engineering, and mathematics (STEM) undergraduate curriculum. This paper outlines the content of a CSE curriculum, the skills needed by successful graduates, the structure and experiences of some recently developed CSE undergraduate programs, and the potential career paths following a CSE undergraduate education.

An Introduction to Agent-based Modeling for Undergraduates

Abstract Agent-based modeling (ABM) has become an increasingly important tool in computational science. Thus, in the final week of the 2013 fall semester, Wofford Colleges undergraduate Modeling and Simulation for the Sciences course (COSC/MATH 201) considered ABM using the NetLogo tool. The students explored existing ABMs and completed two tutorials that developed models on unconstrained growth and the average distance covered by a random walker. The models demonstrated some of the utility of ABM and helped illustrate the similarities and differences between agent-based modeling and previously discussed techniques— system dynamics modeling, empirical modeling, and cellular automaton simulations. Improved test scores and questionnaire results support the success of the goals for the week.

Undergraduate computational science and engineering programs and courses

This 90-minute panel session will discuss recent and future developments in incorporating Computational Science and Engineering into the undergraduate curriculum. There is a companion session devoted to tools and techniques and so the focus here is on programs and courses.The panelists will demonstrate a clear uniformity of purpose but a wide variety of approaches to increasing the CSE experience of undergraduates in different types of schools.The schools represented vary from large state universities to small private liberal arts colleges and a medium-sized school with a strong engineering bias.The approaches adopted also differ. There are complete programs built largely from existing courses, specific courses that are added to established programs to allow a student to follow an emphasis in CSE. The introduction of CSE into existing programs through faculty advice and education has also been successful.Yet other approaches represented among the panelists are the introduction of multi-disciplinary team-taught project-based courses as a springboard for growing an undergraduate CSE program including undergraduate research projects. The incremental use of small add-on courses to supplement conventional mathematics offerings with some CSE content has also been used successfully.Another approach represented on the panel is the use of a particular vehicle --- in this case graphics and visualization --- to introduce key ideas of CSE into regular parts of the curriculum.The unifying theme of the panel --- the desire to improve undergraduate CSE education will be evident throughout. By presenting a wide variety of approaches to achieve this end, it is hoped that any audience participants who wish to create a CSE thread in their own programs will find some ideas to help them. Some of the practical and political issues will also be discussed in the various contexts.The program for the panel would allow each panelist a maximum of 10 minutes to outline their programs and approaches. The remaining 30 (or more) minutes would then be reserved for general discussion and questions and contributions from the audience.

An Undergraduate Computational Science Curriculum

Wofford College instituted one of the first undergraduate programs in computational science, the Emphasis in Computational Science (ECS). Besides programming, data structures, and calculus, ECS students take two computational science courses (Modeling and Simulation for the Sciences, Data and Visualization) and complete a summer internship involving computation in the sciences. Materials written for the modeling and simulation course and developed with funding from National Science Foundation served as a basis the first textbook designed specifically for an introductory course in the computational science and engineering curriculum. The successful ECS has attracted a higher percentage of females than in most computer science curricula. The SIAM Working Group on Undergraduate Computational Science and Engineering Education summarized features of Woffords ECS and other computational science programs. Besides its established curriculum, Wofford has incorporated computational science in other courses, such as in a sequence of three microbiology laboratories on modeling the spread of disease.

Computer graphics in undergraduate computational science education

Computer graphics is an important part of a working scientists toolkit. The graphics may be provided by resources with the scientists group or by capabilities of the toolkits that the scientist uses directly in his or her work. However, in order for the scientist to understand how computer graphics images represent models and what possibilities there are for this representation, and for the occasional time when the scientist may want to create a presentation that is beyond the capability of standard tools, it is important for the science student to understand the basic capabilities and processes of computer graphics. This paper outlines how a computational science program can give students the background they need to have this understanding.

The Fifth Workshop on Teaching Computational Science (WTCS 2011)

Abstract The Fifth Workshop on Teaching Computational Science, within the International Conference on Computational Science, provides a platform for discussing innovations in teaching computational sciences at all levels and contexts of higher education. This editorial provides an introduction to the work presented during the sessions.

Undergraduate Module on Computational Modeling: Introducing Modeling the Cane Toad Invasion☆

Abstract “Modeling an ‘Able’ Invader—the ‘Cane’ Toad” is an educational computational science module developed by the authors for the NSF funded Blue Waters Undergraduate Petascale Education Program. The module considers the fundamentals of a grid-based individual-based simulation and develops such a model for an invasive species, the cane toad, to study the effect of fencing artificial water points on the adults invasion. Besides serial implementations in MATLAB and C, a parallel program in C/MPI accompanies the module. Moreover, the module considers a serial algorithm and an approach to parallelizing, speedup, and scalability. This paper describes the module and details experiences using the material in an undergraduate course on Modeling Biological Networks at Wofford College.

Fourth Workshop on Teaching Computational Science (WTCS 2010)

Abstract The Workshop on Teaching Computational Science (WTCS), taking place within the International Conference on Computational Science (ICCS), is a platform for discussing innovations in teaching computational science in its various aspects, e.g. modeling and simulation, at all levels and contexts. Innovations may cover the context of formal courses or self-directed learning, involving, for example, curriculum development, introductory programming, service courses, specialist undergraduate and postgraduate topics, as well as industry-related short courses. This editorial provides an introduction to the work presented during the sessions in Amsterdam.

Undergraduate computational science education (panel session)

The next generation of IT professionals will be drawn from the upcoming generations of IT students. The future of this field, including its potential to transform society, will be shaped by these students. Thus, it is critical to attract and promote students who will be future leaders and visionaries and bring diverse perspectives to the table. The theme of our proposed session is: increasing the pool of women students in graduate CS/IT programs and positioning them to become future university CS/IT faculty and leaders in the field.