Scribd
Upload
34 views

CMP305 Computational Science and Numerical Methods

Lecture notes on What is Computational Science, History, Importance and Application of Computational Science

Uploaded by

nanyaobiefule
Copyright
© © All Rights Reserved
Available Formats
Download as PPTX, PDF, TXT or read online on Scribd
34 views

CMP305 Computational Science and Numerical Methods

Lecture notes on What is Computational Science, History, Importance and Application of Computational Science

Uploaded by

nanyaobiefule
Copyright
© © All Rights Reserved
Available Formats
Download as PPTX, PDF, TXT or read online on Scribd
You are on page 1/ 10

CMP305: Computational Science

and Numerical Methods

Book: A Journey Through Computational Science and Numerical


Methods: An Undergraduate Guide

Prof. John B. Oladosu

Lecture 1: Introduction

1
Contents
•Lecture 1: Introduction to Computational Science
•Lecture 2: Mathematical Foundations
•Lecture 3: Programming Fundamentals
•Lecture 4: Numerical Methods I: Solving Equations
•Lecture 5: Numerical Methods II: Interpolation and Approximation
•Lecture 6: Numerical Methods III: Numerical Integration and Differentiation
•Lecture 7: Numerical Methods IV: Initial Value Problems for Ordinary Differential Equations
•Lecture 8: Numerical Methods V: Boundary Value Problems for Ordinary Differential Equations
•Lecture 9: Numerical Linear Algebra
•Lecture 10: Optimization and Search Algorithms
•Lecture 11: Monte Carlo Simulation
•Lecture 12: Data Analysis and Visualization
•Lecture 13: High-Performance Computing
•Lecture 14: Applications of Computational Science
•Lecture 15: Ethical and Social Considerations in Computational Science
•Lecture 16: Future Trends in Computational Science

2
Grading Policy
• You must have 70% attendance in order to qualify to
write the final exam.

• Continuous Assessment : 40%


• Class Attendance and Participation: 10%
• Quizzes + Assignments: 15%
• Mid-Semester Test: 15%
• Final Exam: 60%

3
Lecture 1: Introduction to Computational Science

 In this lecture you will learn about:

 What is Computational Science?


 The Importance of Computational Science
 Historical Overview
 Interdisciplinary Nature of Computational Science

4
1.1 What is Computational Science?

 Computational Science is a multifaceted field that marries


computer science, mathematics, and domain-specific
knowledge to tackle complex scientific and engineering
problems through computation. It is an interdisciplinary
endeavor that leverages the power of computers to
simulate, analyze, and solve real-world problems that may
be impractical or impossible to address solely through
traditional analytical or experimental methods.
5
•At its core, Computational Science seeks to:
 Model Complex Phenomena: Computational scientists develop mathematical models that
describe physical, biological, or social phenomena. These models can range from simulating the
behavior of subatomic particles to predicting the weather, from understanding the behavior of
financial markets to studying the spread of diseases.
 Simulate and Analyze: Once a model is formulated, computational scientists use powerful
computers to simulate and analyze the behavior of the system over time. This simulation
provides insights into how the system evolves under various conditions.
 Optimize and Solve Problems: Computational methods are employed to optimize processes and
solve problems efficiently. This includes finding optimal solutions to engineering designs,
predicting the behavior of new materials, and optimizing resource allocation in various
industries.
 Visualize and Interpret Data: Computational scientists generate visualizations and analyze vast
datasets to extract meaningful insights. These visualizations help researchers and decision-
makers understand complex phenomena and make informed choices.

6
1.2 The Importance of Computational Science

•Computational Science plays a pivotal role in advancing scientific knowledge and technological innovation. Its
importance can be summarized in several key aspects:
•1.2.1 Advancing Scientific Understanding
•Computational models allow scientists to explore hypotheses and gain insights into phenomena that may be
difficult or impossible to observe directly. Whether studying the behavior of molecules in a chemical reaction,
the dynamics of galaxies, or the interactions of genes in biological systems, computational simulations provide
a deeper understanding of the natural world.
•1.2.2 Problem Solving and Optimization
•In engineering, industry, and finance, computational tools are essential for solving complex problems. They
enable the optimization of designs, the efficient allocation of resources, and the management of large-scale
systems. For example, computational fluid dynamics is crucial in designing efficient aircraft, while financial
institutions rely on computational models for risk assessment and portfolio optimization.

7
•1.2.3 Predictive Capabilities
•Computational Science empowers researchers to make predictions
about future events and trends. Weather forecasting, for instance,
relies on sophisticated numerical models that simulate atmospheric
conditions. Similarly, drug discovery involves computational methods to
predict the effectiveness of potential pharmaceutical compounds.
•1.2.4 Interdisciplinary Collaboration
•The inherently interdisciplinary nature of Computational Science
encourages collaboration across various fields. Researchers,
mathematicians, computer scientists, and domain experts work
together to address complex challenges. This cross-pollination of ideas
often leads to innovative solutions.
8
1.3 Historical Overview

•Computational Science has a rich history dating back to the early days of computing. Key milestones include:
 1940s - Emergence of Computing: The development of electronic computers during World War II marked the beginning of
computational capabilities. Early computers, such as ENIAC, were used for numerical calculations related to military applications.
 1950s - Birth of Computer Science: Computational Science benefited from the growth of computer science as a discipline. Pioneering
work by computer scientists like John von Neumann and Alan Turing laid the theoretical foundations for computation.
 1960s - Scientific Computing: Computational methods gained prominence in scientific research. Scientists began using computers to
solve mathematical equations and simulate physical processes.
 1970s - Simulation and Modeling: Advances in computing power and algorithms led to more sophisticated simulations and modeling.
This era saw the rise of computational fluid dynamics, structural analysis, and finite element methods.
 1980s - Interdisciplinary Approach: Computational Science became increasingly interdisciplinary, with researchers applying
computational techniques to diverse fields such as biology, chemistry, and economics.
 1990s - High-Performance Computing: The development of supercomputers and parallel computing architectures enabled
researchers to tackle larger and more complex problems. High-performance computing centers and clusters became essential tools
for computational scientists.
 2000s - Big Data and Machine Learning: The explosion of data led to the integration of machine learning and data science into
Computational Science. These tools enhance the analysis of large datasets and the development of predictive models.

9
1.4 Interdisciplinary Nature of Computational Science

•Computational Science thrives on collaboration across disciplines. It draws on the expertise of


mathematicians, computer scientists, physicists, biologists, chemists, economists, and more. This
interdisciplinary approach allows researchers to address multifaceted challenges that require a combination of
mathematical modeling, algorithm development, and domain-specific knowledge.
•For example, computational biologists use mathematical models to simulate biological processes,
computational chemists predict molecular interactions, and computational finance experts develop algorithms
for risk assessment. The synergy of these diverse fields fosters innovation and facilitates problem-solving on a
grand scale.

• In the lectures that follow, we will delve deeper into the fundamental mathematical concepts and numerical
methods that underpin Computational Science. By mastering these tools, you will be equipped to explore
the limitless possibilities of computational modeling and analysis across a wide range of disciplines.

10

You might also like