Data Science for Chemistry

Course content

This course is built for BSc of Chemistry at the University of Amsterdam (UvA). In this course, the students learn the basics of julia language programming. Additionally, they will learn how to explore multi-dimensional data (e.g. LC-MS or DOSI-IR data) from simple visualization to curve fitting. The course contains 11 lectures with dedicated pages in the documentation. In future more topics will be added to the package and thus the documentation. This package utilizes a wide range of other packages developed by others, as this is meant to facilitate the introduction of the students to programming and data science. The package is based on julia language.

  1. Introduction to julia programming
  2. Julia syntax
  3. Data visualization I
  4. Data visualization II
  5. Matrix algebra & SVD
  6. SVD & PCA
  7. Data manipulation
  8. Data exploration
  9. Numerical root finding
  10. Numerical integration
  11. Curve fitting - Least square

For more information about the course and us, please visit us at https://emcms.info.