The Netherlands eScience Center supports and reinforces multidisciplinary, data and computational intensive research through creative and innovative use of digital technologies in all its manifestations.
#AMSTERDAM DENSITY FUNCTIONAL ADF PROGRAMMING LANGUAGE SOFTWARE#
This project will be carried out in close collaboration with the Netherlands eScience center, which will support the whole duration of the project with dedicated software engineer personnel. These applications have taken a dramatic improvement in the last years: the record efficiency of QD solar cells has reached 13.4% and major display manufacturers like Sony and Samsung started using QD phosphors in their display lines. Quantum dots are considered prime candidates for biomedical applications, lighting, display technology, solar cells and photodetectors.
The best precursor candidates will be proposed to experimental colleagues that will ultimately test these structures. By including realistic experimental conditions in the screening protocol, this project aims at providing an unprecedented realism in the prediction of suitable precursors, and avoid lengthy trial-and-error syntheses and redundant calculations. The idea is to browse thousands to millions of metalorganic structures that can be potentially employed in the synthesis of colloidal semiconductor quantum dots.
The successful candidate will work on the development of complex Python workflows to automatize quantum chemical calculations with machine learning libraries. We invite highly motivated and skilled candidates to apply for this vacant PhD position. A PhD position in Computational Materials Chemistry is available in the Department of Theoretical Chemistry at the Vrije Universiteit (VU) Amsterdam in The Netherlands under the supervision of Ivan Infante.
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