The Department of Physics at the Technical University of Denmark has an open PhD position on atomic-scale simulations of nanoparticles for catalytic applications.
Catalysts often consist of supported metal nanoparticles. In order to optimize their performance, a fundamental understanding of their surface structure under reaction conditions as well as their interaction with the substrate on which they are dispersed is essential. This will be investigated with state-of-the-art multi-scale simulation techniques, combining classical and quantum descriptions of the atomic interactions. The project will be in close collaboration with the DTU Center for Electron Nanoscopy, where the same systems will be studies experimentally.
Responsibilities and tasks
The position is part of a new project sponsored by the Danish Council for Independent Research under the Ministry of Science, Innovation and Higher Education entitled Environment dependent structure of catalyst nanoparticles. The project will be carried at the Department of Physics on the Lyngby campus of DTU.
The candidate will conduct the following activities:
- Atomic-scale simulations of nanoparticle morphology using a combination of Density Functional Theory calculations and “classical” Molecular Dynamics or Monte Carlo simulation, using one of Denmark’s largest supercomputer clusters.
- Development of models for the interaction between the nanoparticle and the supporting material.
- Development of the necessary potentials describing the inter-atomic forces to be used in the simulations.
- Link experimental observation to theoretical data.
The successful candidate will be part of the department’s research group “Center for Atomic-scale Materials Design” and will work in close collaboration with researchers and technical staff already working in the field as well as students and researchers in the Center for Electron Nanoscopy working on electron microscopy studies of nanoparticle morphology.
Qualifications
Candidates should have a master’s degree in engineering or a similar degree with an academic level equivalent to the master’s degree in engineering.
Approval and Enrolment
The scholarships for the PhD degree are subject to academic approval, and the candidates will be enrolled in one of the general degree programmes of DTU. For information about the general requirements for enrolment and the general planning of the scholarship studies, please see the DTU PhD Guide.
Assessment
The assessment of the applicants will be made by Professor Jakob Schiøtz, Senior Researcher Thomas Willum Hansen and Professor Jakob Birkedal Wagner.
We offer
We offer an interesting and challenging job in an international environment focusing on education, research, public-sector consultancy and innovation, which contribute to enhancing the economy and improving social welfare. We strive for academic excellence, collegial respect and freedom tempered by responsibility. The Technical University of Denmark (DTU) is a leading technical university in northern Europe and benchmarks with the best universities in the world.
Salary and appointment terms
The salary and appointment terms are consistent with the current rules for PhD degree students. The period of employment is 3 years.
Further information
Further information may be obtained from Professor Jakob Schiøtz: schiotz@fysik.dtu.dk.
You can read more about the Department of Physics on www.fysik.dtu.dk/english and about the CAMD group a twww.fysik.dtu.dk/english/Research/CAMD.
Please do not send applications to this e-mail address, instead apply online as described below.
Application
Please submit your online application no later than 6 January 2014. Applications must be submitted as one pdf file containing all materials to be given consideration. To apply, please open the link “Apply online,” fill in the online application form, and attach all your materials in English in one pdf file. The file must include:
- A letter motivating the application (cover letter)
- Curriculum vitae
- Grade transcripts and BSc/MSc diploma
- Excel sheet with translation of grades to the Danish grading system (see guidelines and excel spreadsheet here)
Candidates may apply prior to obtaining their master’s degree, but cannot begin before having received it.
All interested candidates irrespective of age, gender, race, disability, religion or ethnic background are encouraged to apply.
DTU is a technical university providing internationally leading research, education, innovation and public service. Our staff of 5,000 advance science and technology to create innovative solutions that meet the demands of society; and our 9,000 students are educated to address the technological challenges of the future. DTU is an independent academic university collaborating globally with business, industry, government, and public agencies.
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