Computational Chemistry and Atomic-Scale Analysis - Specialization

Computational Chemistry and Atomic-Scale Analysis

Physical chemistry provides the general framework for analyzing and understanding the behavior of matter at the molecular level. This specialization will teach you about the key experimental and theoretical approaches, focusing on the quantitative description of the structure, dynamics, and function of molecules.

You will acquire a solid foundation in physical chemistry - which together with your general knowledge on chemistry - will allow you to contribute to applications within all areas of chemistry, including catalysis and drug development.

On the theoretical side, you will learn about the key theories that connect the properties of individual molecules with observables in the laboratory. To that end, you will have a chance to make use of the mathematics you have learned - and more. The solution of problems within physical chemistry makes extensive use of computers – including large-scale scientific computing on the biggest computers around.

On the experimental side, you will get hands-on experience with key methods like spectroscopy and scattering. This includes the new international large-scale facilities like the MAX IV synchrotron beamlines in Lund and the free-electron femtosecond X-ray laser E-XFEL in Hamburg.

This specialization will especially appeal to students who want to acquire strong general competences with a focus on theory, computer simulation, and data analysis.

To complete the specialization, the student must fulfill the following requirements:

• Have passed Polytechnical foundation courses adding up to at least 10 ECTS
• Have passed Programme specific courses adding up to at least 50 ECTS
• Have performed a Master Thesis of at least 30 ECTS within Computational Chemistry and Atomic-Scale Analysis
• Have passed a sufficient number of Elective courses to bring the total number of ECTS of the entire study to 120 ECTS

Mandatory Courses

All mandatory courses under the polytechnic foundation and programme specific courses in the curriculum must be completed, in addition, the following must be fulfilled:

The following core-competence courses are mandatory for the specialization:

Choose 25 ECTS among the rest of the programme-specific courses (prior knowledge equivalent to the BSc courses: 26261 Introduction to Quantum Chemistry and 26235 Applied Computational Chemistry is expected): 

Elective Courses

The following courses are proposals for the specialization.

Autumn start - proposed study line

Spring start - proposed study line

Specializations are merely recommended ways of choosing the courses in the curriculum. Applicants are not admitted to a specialization but to the programme and it is possible to choose among all the courses in the curriculum following the directions given. However, if a specialization has been fulfilled the title of the specialization may be added to the diploma.