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SCI02 4466 Scientific Computing 3(3-0-6): Python for Chemists

GOAL: Programming + Numerical methods + Advanced topics (Machine Learning + AI) for chemists

In this lecture, we will cover Python, as the programming basis. Python is an interpreted, general-purpose high-level programming language whose design philosophy emphasizes code readability. Based on this knowledge of Python, we will introduce commonly used numerical methods in scientific computing.

Month I: Introduction to Python
The basis / Control flow / Types and data structure / Functions and modules / Input & Output / Modules and Classes

Month II: Numerical analysis
Error analysis / Numerical differential and integration / Random numbers / Linear algebra / Root finding and minimum finding / Differential equations / Visualization

Month III: Advanced topics
Machine learning / Data modeling and fitting / Statistical analysis