ABSTRACT

A new kind of science called computational science has been established over the past decades (Wolfram 2002). The denition of this science according to the collective report by Lazowska et al. (2005) recognizes the elements that combined span the range of algorithms, software, architectures, applications, and infrastructure. Computational science is a rapidly growing multidisciplinary eld that relies on advanced computing capabilities to understand and help solve complex problems in a broad range of disciplines (e.g., biological, physical, and social). As such, computational science comprises a multitude of elements: (1) algorithms, modeling, and simulation software for solving engineering and humanities problems; (2) computer science (CS) advances to develop and optimize system hardware, software, networking, and data management components necessary to handle computationally demanding problems; and (3) the computing infrastructure supporting the aforementioned two elements. Key to bringing to bear these computational advances for the better of humanity is understanding how to successfully leverage the respective elements.