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FAQ: Theoretical chemistry

  • What is Theoretical Chemistry?

    Theoretical Chemistry is dedicated to the description and prediction of chemistry (of isolated atoms and molecules, gases, liquids, solids, plasmas and their properties, dynamics and reactivities) using theoretical concepts as well as mathematical models and methods. The boundaries to neighbouring disciplines such as theoretical atomic and molecular physics, theoretical solid state physics and physical chemistry are not particularly sharp but rather fuzzy. Roughly speaking, research activities in the field of theoretical chemistry can be divided into the development of concepts and methods, such as the derivation of model equations and programming for the numerical solution of the equations, and applications in computational chemistry, i.e. the numerical solution of equations with computers for specific problems.

  • I am fascinated by theoretical chemistry! How should I organize my studies in an advantageous way?

    We will be happy to advise you individually on how you can make your studies as theory-based as possible. You can make an appointment for a consultation or visit us directly. In this collection of questions, however, we will shortly be providing some general information.

  • Is it possible to write the bachelor thesis in Theoretical Chemistry?

    Of course! The bachelor thesis is scheduled for the end of the sixth semester of your studies and can be completed comfortably during the lecture-free period at the end of the sixth semester. Even if it is sometimes claimed otherwise, you do not have to decide before the sixth semester in which subject or even in which working group you would like to write your Bachelor thesis. You should therefore use the fifth semester and the following semester off to get to know a broader spectrum of chemistry by attending the elective courses. For Theoretical Chemistry this is the course TC1. If you (like us) are enthusiastic about Theoretical Chemistry, please contact us for possible topics and a starting date for your bachelor thesis. In terms of working techniques, you can, for example, work on chemical problems with paper and pencil, carry out small methodological developments supported by computer algebra systems, integrate new subroutines or functionalities into existing program systems with existing programming experience, perform quantum chemical calculations on structures, spectroscopic properties and reactions of chemical systems with the help of already available program packages, and much more.

  • Is there the possibility to work as a student assistant in Theoretical Chemistry?

    Basically yes, and also very gladly! You may be able to participate even before you have heard the first lecture in Theoretical Chemistry, if you have good mathematical or physical skills or programming experience. In our opinion, interested students should be given the opportunity to participate in exciting research as early as possible. Please contact us if you are interested.

  • I would like to do a research internship in Theoretical Chemistry. What do I have to do?

    Please contact us as early as possible. Together with you, we will then first try to identify fundamental topics of interest (e.g. fundamental symmetries and fundamental interactions, spectroscopic and molecular properties, relativistic effects, chirality and its detection, reaction mechanisms) or general working directions (theory, programming, application). Subsequently, we will then compare these with the research projects currently being worked on in the group and, based on this, develop more concrete time and work plans for the research internship.

  • I want to do a master thesis in Theoretical Chemistry. What do I have to do?

    Typically, you have already completed one or more research internships in Theoretical Chemistry and have been able to determine your specific scientific interests or wishes regarding your preferred working techniques. On this basis, master thesis projects can usually be perfectly tailored to your research interests. At the latest (!) during your master thesis you should have the opportunity to finally explore exactly what fascinates and inspires you. It would be a great pity if you miss this opportunity.