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Applied quantum chemistry for master and PhD students

Course
Master’s level
15 credits (ECTS)
Study pace
100%
Time
Day
Location
Göteborg
Study form
Campus
Language
English
Duration
-
Application open
-
Application code
GU-11660
Tuition
Full education cost: 29 750 SEK
First payment: 29 750 SEK

No fees are charged for EU and EEA citizens, Swedish residence permit holders and exchange students.

More information about tuition fees

Application closed

Summary

This course is for master's and PhD students in chemistry or a related subject who want to complement their chemical toolbox with computational methods. You will learn, from a distinct user perspective, how to tackle chemical problems with the help of quantum chemical calculations, above all with the “work horse” of quantum chemistry, density functional theory (DFT). You will also get the opportunity to practise and apply your knowledge in extensive computer exercises and a miniproject.

About

Information technology and computations play an increasing role in chemistry. Nowadays, many chemists use computational chemistry as one tool among others to tackle chemical problems. Modern computational chemistry packages are very user friendly. Still, they need to be used in the right way to get reasonable and reliable answers to your questions.

In the course Applied Quantum Chemistry, you will learn how you can calculate molecular properties and describe chemical processes with quantum-chemical methods, in other words, starting from the underlying quantum mechanics. You will learn how to use quantum chemical calculations to analyse and understand chemical reactions and to interpret experimental results such as IR or Raman spectra. You will also get guidance in how to choose suitable calculation methods and how to avoid common pitfalls. But above all, you will acquaint yourself with the “work horse” of today’s quantum chemistry, density functional theory (DFT). In addition, you will get an insight into some more advanced topics such as the description of optical excitations or the treatment of molecules in motion.

In the extensive computer exercises, you will both apply and deepen your theoretical knowledge and practise your skills. Two of the exercises are a bit more complex and exemplify in what way quantum chemistry can be used to solve real chemical problems.

In the last part of the course, you will have the opportunity to apply your knowledge in a mini-project. You may choose the topic yourself. You are welcome to choose a problem that is related to your master's thesis or your PhD studies.

Prerequisites and selection

Requirements

A Bachelor's degree with 90 credits within Science (or 120 credits within pharmacy/medicine). These courses should include KEM040, Physical chemistry (15 credits) or FYP 203, Quantum physics (7.5 credits). Students with equal qualifications can be admitted. Mathematics (15 credits) is strongly recommended.

Selection

Selection is based upon the number of credits from previous university studies, maximum 225 credits.

For admission to the summer 2021 and onward the following selection applies: selection is based upon the number of credits from previous university studies, maximum 165 credits.

After graduation

The course can be included in the Master's programme in Chemistry (N2KEM). It can also be applied for as a stand-alone course. For instance, this course can be interesting for students in physics.

Facilities

The course is given on Campus Johanneberg.

You can easily and quickly reach Campus Johanneberg by tram or bus from all the different parts of Gothenburg. The nearest bus and tram stops are Chalmers and Kapellplatsen, and bus stop Chalmers Tvärgata.