GRK 2455 Bewertende Experimente für die numerische Quantenchemie

Qualifizierungsprogramm der GAUSS natural science graduate school und des neuen Promotionsprogramms der Fakultät für Chemie


    A total of 30 credit points have to be collected.


      1. Scientific competence (15 Cr)
           a) Research reflection and presentation skills (6-9 Cr)
               (this is covered by either module P.Che.1001, P.Che.1002 or P.Che.1003, see module directory)
           b) Scientific qualifications (6-9 Cr)

      2. Active teaching with appropriate coaching (9 Cr)
           (this is covered by module P.Che.1004, see module directory)

      3. Key qualifications (6 Cr)



    • Requirements checklist for the Chemistry Ph.D. program (English, German)

    • Requirements checklist for the Ph.D. program specific for the RTG (English)

    • PhD regulations (Promotionsordnung) of the Georg-August University School of Science (GAUSS) (German)

    • Module Directory for the doctoral program of Chemistry (German)

    • How to apply for the defense (English, German)




    "Scientific and Key Qualifications" im GRK


    An overview of the GAUSS and BENCh requirements can be found here.

    Scientific and key qualifications in the RTG is subdivided in mandatory and optional components:

    • Mandatory components

        Ring lecture "Tools and techniques for benchmarking" part A and B
        Semester 1 and 4, 1 Cr total, sequence interchangeable

        Part A: Thursdays 13:15-15:00, Seminar room MN32 (4th Floor IPC)

        Part A Ring Lecture Topics - Semester 1 of each cycle
        1aGood scientific practiceM. Suhm25.04.1902.05.19
        2aRates of chemical reactions in
        the gas phase        		K. Koszinowski09.05.1916.05.19
        3aValidating interatomic potentialsJ. Behler23.05.1906.06.19
        4aThermodynamics in solutionI. Siewert13.06.1920.06.19
        5aRates of chemical reactions at
        surfaces        		A. Wodtke01.07.1904.07.19
        6aExperimental and theoretical
        charge density distributions        		D. Stalke12.07.1916.07.19
        Click here for a schedule overview

        Part B: Block course 15:00-17:45, Stud.IP / Zoom (check Stud.IP page for more information)

        Part B Ring Lecture Topics - Semester 4 of each cycle
        1bExperimental benchmarking in
        vibrational spectroscopy        		M. Suhm03.03.2110.03.21
        2bLeaning on Theory: why gas-phase
        structures are not purely experimental        		D. Obenchain03.03.2110.03.21
        3bAssessing the obscure - AromaticityC. Sindlinger04.03.2111.03.21
        4bMolecular magnetism in benchmarkingS. Gupta04.03.2111.03.21
        5bBenchmarking kinetics in solutionS. Schneider05.03.2112.03.21
        6bWavefunction hierarchiesR. Mata05.03.2112.03.21
        Click here for a schedule overview
        Cross-border course(s)
        Any semester, minimum of 2 Cr, has to be methodically complementary (theoretical course for experimental theses and vice versa)

        Selected examples of cross-border courses:

        Cross-border courses (experimental (E)/Theory (T))
        Quantum chemistry T R. Mata
        Dynamics and simulation T J. Behler
        Vibrational spectroscopy and intermolecular dynamics E M. Suhm
        Chemical dynamics at surfaces E A. Wodtke
        Modern mass spectrometry and gas phase chemistry E K. Koszinowski
        Mechanistic organometallic chemistry E S. Schneider
        Advanced coordination chemistry E I. Siewert

        These courses are available in the local curriculum.
        Lab rotation attendance
        Any semester, 1 week, 1 Cr

        All doctoral RTG members are obliged to take part in a one week lab rotation offered by another doctoral researcher of the RTG. In order to receive 1 Cr, doctoral students have to turn in a final report. A template for the protocol can be found here.
        Hard skill courses - Good Scientific Practice (3) and Data Management (1b or 3)
        Semesters 2 and 5 (recommended), 1-2 Cr

        Selected examples for hard skill courses
        Good Scientific Practice (mandatory) Barth 0.5 Cr
        Uncertainty in measurement- a short guide Lüttschwager 0.5 Cr
        Introduction to Python Lüttschwager 0.5 Cr
        Bayesian Statistics for Scientific Research Proppe 0.5 Cr

        To receive the full 0.5 credit points for GSP a short essay on "GSP in Benchmarking" has to be turned in at the end of the PhD.
        Annual workshop
        Spring break

        Organized as a 3-day retreat in March outside of Göttingen in odd years and as a local event in even years. All doctoral researchers are expected to attend and present their research on these events.
        Guest seminars
        Tuesday and Thursday institute seminars, 0.5 Cr for hosting

        Each graduate student is required to propose and host at least one guest scientist during the thesis work within the Tuesday and Thursday institute seminars. Four such presentations by guest scientists are planned in each semester.
        Research stay in an external group
        Outside semester 1 and 4, 1 Cr

        Each doctoral researcher is expected to stay between 2 and 4 months in an external group to familiarize with the complementary technique which this group contributes and to present her or his research to the group. Due to the pandemic, the minimum research stay time has been lowered to 1 month. It is also possible to neglect this component depending on the PhD duration and the pandemic evolution.

    • Optional components

        Soft skill courses
        Any time, flexible

        Soft skill courses are offered by the "Zentrale Einrichtung für Sprachen und Schlüsselqualificationen" (ZESS). A full list of courses is available on the ZESS homepage. Furthermore, there are soft skill courses offered by GAUSS and there will be special offers (at least one per year) organised by the participating principal investigators and their postdoctoral fellows. It is also possible to take part in external courses.


        Selected examples of soft skill courses:

        RTG-specific soft skill courses
        Philosophy of science D. Stalke 2 Cr
        Literature search M. Suhm 0.5 Cr
        How to write a scientific paper A. Wodtke 0.5 Cr
        GAUSS soft skill Courses- University funded
        Effective Presentations - Talks, Poster and Papers Dr. A. Schiller 2 Cr, 3d
        Grant Writing for Scientists Dr. C. Schütte 2 Cr, 2d
        Time Management in Doctoral Research S. Stevic 0.5 Cr, 1d
        External soft skill courses suggestions - RTG/University funded
        Industrial Property Rights Dr. T. Doerper (BASF) 0.5 Cr
        Career planning for PhD students, application standards - personal strategies Dr. S. Golin 0.5 Cr
        Professionell bewerben für Chemikerinnen N.N. (GDCh) 0.5 Cr
        Board membership
        Any time, 0.5 Cr

        2 RTG students will be elected for the management board by the student council (students participating in the RTG) each year.
        Workshop organization
        Any time, 0.5 Cr

        Doctoral researchers (2-4) will be responsible for the management of the annual workshops.
        Lab rotation offer
        Any time, 1 week, 2 Cr

        All doctoral researchers are expected to offer a one-week lab course on demand, in which they introduce other RTG researchers and guest PhD students to their techniques.
        Junior BENCh qualification - Research assistants
        Any time, around 4 months

        4 positions for master student assistants will be available each year (40 hours/month for 4 months). The candidates have to team up with a doctoral researcher to write a short proposal based on which the Master students will be selected for the position.