Computers in Chemistry

Recommended Prerequisites

Not applicable.

Teaching Methods

Resources, in multimedia format, will be available as main course texts. Students will have have to solve some proposed activities. Whenever needed sessions involving students to stimulate scientific discussions and /or clearing students’ doubts will be scheduled.

Learning Outcomes

The course aims to develope competences of students in using computers to solve problems related to Chemistry. Specifically, the students must be able to use the computer to solve problems in Chemistry, specifically they have to efficiently use: I) spreadsheets; ii) software for solving algebra problems; iii) software for solving numerical problems; iv) software for the representation of molecular structures.

Work Placement(s)

No

Syllabus

1) Instalation of software used during the course.

2) Revision of maths used during the course.

3) Spreadsheets.

4) Computer algebra systems.

5) Numerical methods in Chemistry: least-squares, numerical derivatives, numerical calculation of integrals, numerical integration of differential equations.

6) Computer numerical programs.

7) Molecular representation.

Head Lecturer(s)

Jorge Manuel Campos Marques

Assessment Methods

Assessement
Final information to be published will be Fair, Good, Very Good and Excellent.: 100.0%

Bibliography

Recursos / Conteúdos programáticos desenvolvidos pelos docentes / learning materials developed by the academic staff.