Overview

Aim The aim of this course is to make you familiar with the basic concepts behind programming. For this we will make use of the Matlab environment. Matlab is a scientific computer program, which allows you to visualize data, preform matrix operations, and write scripts and functions, etc. It is used in many research groups for data analysis or for calculations. At the end of this course, you should be able to read code, write code to solve chemical problems, and to understand how you should set up your program in a clear and clever way.

Weekly targets Week 1: Chapters 1 and 2 Week 2: Chapters 3 and 4 Week 3: Chapters 5 and 6 Week 4: Chapters 7 and 8 Week 5: Chapter 9 Week 6: Assignment Week 7: Assignment 18 October 2019: deadline assignment

Solutions Chapter 1 Chapter 2 Chapter 3 Chapter 4 Chapter 5 Chapter 6 Chapter 7 Chapter 8 Chapter 9

Examination Two hour written exam (70%) and a computer assignment (30%). Both should be at least a 5.0

• You can use Matlab both under Window and under Linux. Most programmers prefer to work in a Linux environment, since this works much easier for many programming languages and there are also many chemical programs freely available for linux. If you like to try, here is a quick overview of some useful commands.
• Login using your favoured session type. Mine is "KDE" but "Gnome" is fine as well.
• Start a terminal. The following commands are good to remember:

                  	    ls    "view a list of files in a directory"
                  	    mkdir "make a directory"
                  	    cd    "change to directory"
                  	    pwd   "give current directory"
                  	    cp    "copy a file"
                  	    mv    "move or rename a file"
                  	    rm    "remove a file"
                  	    less  "view a file"
                  	    

You can download a pdf here.
These lecture notes with exercises will be regularly updated

Since computer problems can usually be solved in several different ways, we will not post solutions to the exercises. If you would like to have feedback on your exercises, you can hand them in through blackboard.
Test exam
Solution
Test exam
Solution

The assignment can be found on Brightspace The assignment is due 18 October 2019. It counts for 30% to the final mark and must be passed with a 5.0 or higher.
It is an individual assignment. This means that your code is unique with unique help and comments. Duplicate codes will be noticed.

sydrain.txt
source of the data

wine.dat
sample.dat
to learn more about the source of this data click here