Job Properties
  • Job Type
    Full-time Position
  • Category
    Research & Science
  • Languages
  • Experience Required
  • Degree Required
    • Province
    • Date Posted
      December 16,2021
    • Entrusting Package
    • JSS
    • VISA
    • IMG_6430
    • Career Consultation

    Two PhD Candidates in Computational Physics/Chemistry (0.8 - 1.0 FTE)

    Two PhD Candidates in Computational Physics/Chemistry

    • Employment: 0.8 - 1.0 FTE
    • Gross monthly salary: € 2,434 - € 3,111
    • Faculty of Science
    • Required background: Research University Degree
    • Application deadline: 16 January 2022

    We have two open positions. Both concern the development of new methods and software.

    The first project has its application in materials research. It concerns the extension, implementation and application of the GIPAW method to calculate NMR solid state chemical shieldings. This will be implemented in the electronic structure code VASP. The method extensions are (a) for heavy nuclei (spin-orbit extension) and, most importantly, (b) to enable shielding calculations for advanced DFT functionals such as hybrid functionals (with Hartree-Fock exchange) and meta-GGAs. You will apply the methodology for various systems, e.g. perovskite photovoltaic and energy storage materials, in collaborative studies with experimentalists of the solid state NMR group. This project is a collaboration with the VASP group (Vienna) and the Magnetic Resonance Research Centre (also at Radboud University).

    The second project has its application in astrochemisty. New astronomical observations of interstellar ices require more accurate simulation methods for their interpretation. You will develop a new kinetic Monte Carlo (kMC) program that allows for simulations of interstellar ices, which form in star-forming regions and are inhomogeneous and amorphous in nature. The program should treat the amorphous nature of the ice and use realistic interaction potentials. Previous methods used model potentials and are typically confined to a lattice. You will also apply the new program to the simulation of complex molecules in interstellar ices and confront these with astronomical observations.

    Both positions are funded for 4 years and have a 10% teaching load. You will be encouraged to participate in relevant conferences, workshops and seminars, and to communicate your results through publications in peer-reviewed journals.


    • You hold a Master's degree in physics, chemistry, material science or a related field.
    • You have an affinity with programming and computational studies such as atomistic simulations.
    • You have excellent writing and communication skills.

    We are

    The position is in the Theoretical and Computational Chemistry group of the Institute for Molecules and Materials (IMM) at the Faculty of Science (FNWI). You will have the opportunity to work with other members of IMM as well as international collaborators. The group develops new methods and software when necessary and works in close collaboration with experimental groups. Research questions cover, amongst others, topics from astrochemistry, atmospheric chemistry, and properties and dynamics of energy-related materials.

    IMM is a research institute in chemistry and physics promoting interdisciplinary research. Its mission is to design and create functional molecules and materials to fundamentally understand their behaviour. IMM consists of 24 research groups active in fields ranging from condensed matter physics to organic chemistry and biochemistry. It focuses on fundamental research with an open eye to societal applications and trains the next generation of leaders in science and innovation. You will have the opportunity to interact with researchers at IMM and participate in institute-wide activities.

    The Faculty of Science is a complete, student-oriented science faculty where research and teaching are closely intertwined. The faculty aims to be an academic community with an international character where employees from different backgrounds combine their talents with the goal of being a leading science faculty in Europe.

    Radboud University
    We want to get the best out of science, others and ourselves. Why? Because this is what the world around us desperately needs. Leading research and education make an indispensable contribution to a healthy, free world with equal opportunities for all. This is what unites the more than 24,000 students and 5,600 employees at Radboud University. And this requires even more talent, collaboration and lifelong learning. You have a part to play!

    We offer

    • Employment for 0.8 (5 year contract) - 1.0 (4 year contract) FTE.
    • The gross starting salary amounts to €2,434 per month based on a 38-hour working week, and will increase to €3,111 from the fourth year onwards (salary scale P).
    • You will receive 8% holiday allowance and 8.3% end-of-year bonus.
    • You will be employed for an initial period of 18 months, after which your performance will be evaluated. If the evaluation is positive, the contract will be extended by 2.5 years (4 year contract) or 3.5 years (5 year contract).
    • You will be able to use our Dual Career and Family Care Services. Our Dual Career and Family Care Officer can assist you with family-related support, help your partner or spouse prepare for the local labour market, provide customized support in their search for employment and help your family settle in Nijmegen.
    • Working for us means getting extra days off. In case of full-time employment, you can choose between 29 or 41 days of annual leave instead of the legally allotted 20.
    Additional employment conditions
    Work and science require good employment practices. This is reflected in Radboud University's primary and secondary employment conditions. You can make arrangements for the best possible work-life balance with flexible working hours, various leave arrangements and working from home. You are also able to compose part of your employment conditions yourself, for example, exchange income for extra leave days and receive a reimbursement for your sports subscription. And of course, we offer a good pension plan. You are given plenty of room and responsibility to develop your talents and realise your ambitions. Therefore, we provide various training and development schemes.

    Would you like more information?

    For questions about the position, please contact Herma Cuppen, Professor Computational Chemistry at Alternatively, you can contact Gilles de Wijs, Assistant Professor Computational Chemistry at

    Practical information and applications

    You can apply until 16 January 2022, exclusively using the button below. Kindly address your application to Herma Cuppen. Please fill in the application form and attach the following documents:
    • A motivation letter indicating a possible preference for one of the two projects.
    • Your CV including the contact details of at least one academic reference, preferably the supervisor of your Master's degree project.
    • A course list of your Master's studies.
    • A one-page summary of your Master's thesis, highlighting the computational aspects of the project.
    The first round of interviews will take place in the week of 24 January.

    We can imagine you're curious about our application procedure. It offers a rough outline of what you can expect during the application process, how we handle your personal data and how we deal with internal and external candidates.

    We drafted this vacancy to find and hire our new colleague ourselves. Recruitment agencies are kindly requested to refrain from responding.

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