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PhD position: Molecular modeling of hydrothermal ... (No replies)

jahn
5 years ago
jahn 5 years ago

The University of Cologne is one of the largest and most research-intensive universities in Germany, offering a wide range of subjects. With its six faculties and its interfaculty centres, it offers a broad spectrum of scientific disciplines and internationally outstanding profile areas, supported by the administration with its services.

The Mineralogy-Crystallography group at the Institute of Geology and Mineralogy uses experimental and computational methods to study the structure and properties of Earth materials. The PhD position is funded in the framework of the recently established DFG Priority Program „Dynamics of Ore Metals Enrichment - DOME“. The project aims for a better understanding of rare earth element speciation and transport in hydrothermal systems using first-principles molecular modeling approaches.

Your Tasks

  • first-principles molecular dynamics simulations of rare-earth element-bearing aqueous fluids
  • development and application of efficient interaction potentials for complex chemical systems, e.g. using neural networks
  • use of advanced sampling methods to derive thermodynamic properties of ore-forming fluids
  • presentation and publication of research results

Your Qualification

  • MSc. in Geosciences, Chemistry, Physics or any related field
  • good knowledge in chemical thermodynamics, physical chemistry or condensed matter physics
  • skills in programming and/or molecular simulations
  • interest in interdisciplinary research including mineralogy and computational chemistry
  • good command of English language

Contact Data

Prof. Dr. Sandro Jahn ([email protected])

PhD_position_DOME.pdf



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Ab initio (from electronic structure) calculation of complex processes in materials