PhD position in theoretical and computational physics/chemistry
Multi messenger X-ray Science – electron densities from a combined analysis of elastic x-ray scattering and x-ray emission data
Within our newly established Graduate School “DASHH: Data Science in Hamburg Helmholtz Graduate School” (https://www.dashh.org) we offer a PhD position in a cross-disciplinary field of theoretical physics, theoretical chemistry and applied mathematics.
Pioneering experiments at storage-ring based x-ray sources and x-ray free electron lasers (XFELs) have shown the possibility for combining x-ray diffraction, x-ray scattering and x-ray emission spectroscopy in one high-quality experiment. Currently, the data analysis and reconstruction of the underlying physical quantities of interest (electron density, oxidation state, electron affinity, etc.) are undertaken independently from each other. We propose an interdisciplinary project to develop novel x-ray data analysis methods for combined processing of x-ray diffraction and x-ray emission spectroscopy data relying on a common quantum-chemical model.
The successful candidate will develop theoretical background of the novel analysis method and implement it. In particular, the extension of Quantum Crystallography methods is foreseen, namely, the refinement of electronic structure (quantum chemistry) calculations by constraining the minimization problem of the total energy by measured x-ray structure factors and x-ray emission spectra. The candidate should define the optimal quantity to be minimized and modify the quantum chemistry codes accordingly.
We offer fully funded PhD position and research at a vivid research campus in Hamburg (CFEL, DESY, UHH, MPSD) and collaboration with groups at DESY (CFEL) and the Universität Hamburg. The successful candidate will be admitted as student of our newly established DASHH graduate school, with a focus on data and information science and applied mathematics in the natural sciences. The PhD research will be conducted within the groups of Nina Rohringer (DESY, CFEL and 1st Institute for Theoretical Physics, Universität Hamburg) and Christina Brandt (Institute for Applied Mathematics, Universität Hamburg).
Candidates should have completed their physics or chemistry studies (Master degree or equivalent) with a strong background in theoretical atomic, molecular and optical physics, theoretical solid-state physics or theoretical quantum chemistry. Programming skills (Python or C++) are needed and experience with quantum chemical codes would be advantageous. The candidate should have a strong interest in collaborating with experimentalists and other theorists, and should have strong communication skills and excellent command in spoken and written English.
For further information on the research project, please contact Prof. Nina Rohringer at [log in to unmask]
Applications (cover letter, CV, copies of degree certificates, names and contact information of 2 references that can be contacted
) should be sent to [log in to unmask] by July 7, 2019
To join or leave the molecular-dynamics-news email list, go to:
http://www.jiscmail.ac.uk/lists/molecular-dynamics-news.html
|