Job announcements relevant to people interested in electronic structure calculations
PhD position in Theory of Electroactive Hybrid S ... (No replies)
Applications are invited for a fully-funded 4-year PhD position on semiconducting organic-inorganic solids to join the group of Professor Aron Walsh (http://www.imperial.ac.uk/people/a.walsh) in the Department of Materials at Imperial College London. The position is open to applicants from the European Union.
Metal-organic frameworks have been widely studied for use in gas storage and catalysis. The development of redox-active thin-film frameworks opens up a new range of applications including energy conversion and storage technologies. We have recently been developing the chemistry and physics underpinning these compounds [1-3], which will be extended to include defect processes  and excited states. The project will involve a range of atomistic simulation methods including density functional theory, lattice dynamics, molecular dynamics, and Monte Carlo techniques applied to novel functional materials.
Candidates should have a degree in chemistry, physics or materials science, and an interest in scientific computing. Knowledge of Python is an advantage. A CV and personal statement should be sent to a.walsh[at]imperial.ac.uk. The position will commence in March 2018.
1. Electronic Chemical Potentials of Porous Metal−Organic Frameworks, JACS 136, 2704 (2014)
3. Metallic Conductivity in a Two-Dimensional Cobalt Dithiolene Metal−Organic Framework, JACS 139, 10863 (2017)
4. Instilling Defect Tolerance in New Materials, Nature Materials (2017)
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