Programming Languages for Molecular Sciences: Python and C++

3 credits · Graduate

Course provides in-depth coverage of programming concepts and techniques required for scientific computing, data science, and high-performance computing using C++ and Python. Course will compare and contrast the functionalities of the two languages. Topics include classes, overloading, data abstraction, information hiding, encapsulation, file processing, exceptions, and low-level language features. Exercises based on molecular science problems will provide hands-on experience needed to learn these languages. Course serves as a prereq to later MSSE courses: Data Science, Machine Learning Algorithms, Software Engineering for Scientific Computing, Numerical Algorithms Applied to Computational Quantum Chemistry, and Applications Parallel Comp.