COMPUTATIONAL SCIENCE AN OVERVIEW COMPUTATIONAL SCIENCE | AN OVERVIEW Many of the improvements in computer hardware and in the algorithms (software) that control computers have presented a new tool for investigating scientific problems. Scientific Research can be categorized in three areas: 1. Observational Science 2. Experimental Science 3. Theoretical Science COMPUTATIONAL SCIENCE | AN OVERVIEW A fourth and new area of scientific research has emerged over the past 20 or 30 years that is revolutionizing how scientists work and how they think about doing science. 4. Computational Science (also Scientific Computing) “The application of computational and numerical techniques to solve large and complex problems.” “An interdisciplinary approach to the solution of complex problems that uses concepts and skills from the disciplines of science, computer science, and mathematics.” COMPUTATIONAL SCIENCE | AN OVERVIEW Computational Science allows us to… • Do things that were previously too difficult to do due to the complexity of the mathematics, the large number of calculations involved, or a combination of the two. • Solve problems that cannot be solved by traditional experimental or theoretical means, such as attempting to predict climate change. • Build models to make predictions of what might happen in the lab. • Perform experiments that might be too expensive, e.g. determination of the structure of proteins, or too dangerous to do in the lab, e.g., characterization of toxic materials. COMPUTATIONAL SCIENCE | AN OVERVIEW includes Engineering, Medicine, and Education Applied Discipline Computer Science Mathematics Computational Science COMPUTATIONAL SCIENCE | AN OVERVIEW “ Computational Science uses everything that scientists already know about a problem and incorporates it into a mathematical problem which can be solved. The mathematical model which then develops gives scientists more information about the problem.” COMPUTATIONAL SCIENCE | AN OVERVIEW “Scientific Computing is the collection of tools, techniques, and theories required to solve computer mathematical models of problems in Science and Engineering. A majority of these tools, techniques, and theories originally developed in Mathematics, many of them having their genesis long before the advent of electronic computers. Numerical Analysis (also Numerical Mathematics) The set of mathematical theories and techniques which constitutes a major part of Scientific Computing. COMPUTATIONAL SCIENCE | EXERCISE Exercise: Give a problem or phenomenon (solved or unsolved) which solution greatly relies on computational models and simulations (computational science). Example: • • • • • Genetics Stock Market Predictions Black Hole Planet Rotation & Evolution Weather Prediction REFERENCES • Chasnov, J. (2017) Scientific Computing. The Hong Kong University of Science and Technology. Department of Mathematics • Bindel, D. & Goodman, J. (2009) Principles of Scientific Computing. New York University • Gladwell, I., Nagy, J., & Ferguson, W. Jr. (2007) Introduction to Scientific Computing. Southern Methodist University, Emory University, and The University of Texas • The Shodor Education Foundation, Inc. (2000) Computational Science. Retrieved from https://www.shodor.org/chemviz/overview/compsci.html
