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Two PhD Candidates in Computational Physics/Chem ... (No replies)
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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.
We ask
Work environment
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.
More information
https://www.ru.nl/werken-bij/vacature/details-vacature/?recid=1178017