New Mexico Computer Science for All Computational Science

New Mexico Computer Science for All Computational Science Investigations (from the Supercomputing Challenge Kickoff 2012) Irene Lee December 9, 2012

Computational Science? Computational Science is the use of mathematics and computer science to model “real world” problems in science, and conduct simulation experiments.

Computational Science Increases in computational power enable us to: • design and conduct experiments on models of systems too big, too expensive or too dangerous to experiment with in the real-world. • run multiple “what-if” scenarios quickly. • collect and analyze large amounts of data.

Computational Science Process Real World Problem Simplify Represent Interpret Mathematical/ Behavioral Model Results/ Conclusions Simulate Working Model Computational Model Translate

Computational Science Process Real World Problem Simplify the “real world” into an abstracted form. Represent Interpret Mathematical/ Behavioral Model Results/ Conclusions Simulate Working Model Computational Model Translate

Computational Science Process Real World Problem Interpret Simplify Represent the model in formal mathematical and/or algorithmic terms. Mathematical/ Behavioral Model Results/ Conclusions Simulate Working Model Computational Model Translate

Computational Science Process Real World Problem Simplify Represent Interpret Mathematical/ Behavioral Model Results/ Conclusions Simulate Working Model Computational Model Translate the equations and algorithms into computer code.

The Role of Modeling Real World Problem Interpret Simplify the “real world” into an abstracted form. Represent the model in formal mathematical and/or algorithmic terms. Mathematical/ Behavioral Model Results/ Conclusions Simulate Working Model Computational Model Translate the equations and algorithms into computer code.

Implementation Approach: Modeling Orientation How we describe the “world” of our chosen problem … Mathematical formulas and/or logical rules describing the global behavior of the “world” as a whole. Logical rules and/or mathematical formulas describing the local behavior of the different kinds of individual objects in the “world” . . . influences our choice of programming language/approach. Procedural Programming (e. g. Fortran, C, BASIC) Object-Oriented Programming (e. g. Java, C++, Visual. Basic) Agent-based Programming (e. g. Net. Logo)

Implementation Approach: Modeling Orientation How we describe the “world” of our chosen problem … Mathematical formulas and/or logical rules describing the global behavior of the “world” as a whole. Logical rules and/or mathematical formulas describing the local behavior of the different kinds of individual objects in the “world” . . . influences our choice of programming language/approach. Procedural Programming (e. g. Fortran, C, BASIC) Object-Oriented Programming (e. g. Java, C++, Visual. Basic) Agent-based Programming (e. g. Net. Logo)

Implementation Approach: Technical Application Device Control Numerical Computing Fortran Monte Carlo Simulation C Continuous Simulation C++ Discrete Event Simulation Cellular Automata Agent-based Simulation Java Net. Logo