The student will learn the basics necessary to address the problems relating to the application of computer / computational / graphical methods to inherently chemical problems. The course consists of two strongly integrated and interdependent modules. As a result of the strong integration of the two modules, the exam is unique. In particular, the training objectives of the two modules are: MODULE A • To provide the basic concepts of the MATLAB programming language • Introduce the student to the use of programs for visualizing molecules in 3D MODULE B • Apply the basic notions of MATLAB programming in the writing of simple programs for data analysis and function visualization (in 2 and 3 dimensions). • Application of molecular graphics programs to chemical problems EXPECTED LEARNING RESULTS At the end of the course, the student will be able to: • Carry out the implementation of simple calculation algorithms with MATLAB • Graphically represent molecular systems in 3D. • Visualize molecular orbitals • Carry out a conformational analysis
Course Prerequisites
Knowledge of the basic operation of a computer in a Windows or Linux or Mac environment.
Assessment Methods
The exam will be a practical computer test. The practical test will consist of a computer exercise on one of the topics and / or applications made during the lessons. The student's ability to perform the exercise correctly will be positively evaluated.
