A Ph.D. position in computational modelling of heterogeneous catalysis is currently available in the Department of Chemistry at the University of Otago, Dunedin, New Zealand (www.otago.ac.nz/chemistry). The primary focus of the Ph.D. project will be using density functional theory and global optimization methods for the rational design of bimetallic nanoparticle catalysts for denitrification of potable water. Funding for the project is guaranteed however it is expected that the applicant will also submit a project proposal to external funding sources. The position will also require a small component of undergraduate teaching. The succesful applicant should have a M.Sc. or B.Sc. degree with a significant research component in chemistry, physics or materials science. Excellent written and oral communication skills as well as independence and innovative thinking are essential. Experience with common DFT programs such as VASP, GPAW, Quantum Espresso, Siesta is highly desirable as is scripting and programming experience. Interested applicants should submit a cover letter, CV and contact information of two referees to [email protected] before May 31^st 2015.