A fully funded Ph.D. position in atomistic simulations is available immediately  in a theory group “Atomistic Simulations of Materials” (Group Leader Dr. Arkady Krasheninnikov) at the Institute of Ion Beam Physics and Materials Research, Helmholtz-Zentrum Dresden-Rossendorf, Germany.

Two-dimensional (2D) inorganic materials, which have recently been on the forefront of research in chemistry, physics and materials science, have unique electronic and optical properties. The properties can further be tuned by controllable introduction of defects and impurities. Moreover, the defects can be used as seeds to grow other materials in pre-selected areas. ln the project "Defect-engineering in graphene via focused ion beam for tailored van der Waals epitaxy of h-BN”, which is to be carried out in collaboration with the experimental groups at the Paul-Drude-Institute for Solid State electronics and Helmholtz Center Berlin for Materials and Energy, we are going to study the production of defects in 2D materials under irradiation and the interaction of reactive species with the defects with the ultimate goal to design new 2D materials with unique properties. Optical properties of defective materials will also be addressed. To do so, multiscale atomistic computer simulations including first-principles calculations and analytical potential molecular dynamics simulations are going to be used.

Essential Requirements

• Master degree in solid-state physics, computational physics or materials science;
• Good scripting and programming skills;
• Experience with atomistic simulations (molecular dynamics, density-functional theory calculations) is highly desirable but not mandatory;
• Excellent written and oral communication skills in English;
• Readiness to work in an international team and closely collaborate with experimentalists.

Tasks

• Carry out multi-scale atomistic simulations using density-functional theory and analytical potential molecular dynamics aimed at understanding the effects of ion irradiation on 2D materials and defect-mediated growth of materials;
• Develop the dedicate software for modelling of defect production in two-dimensional materials and materials growth;
• Closely collaborate with the experimental groups involved in the project.

Duration and salary

The total duration of the positions is three years (with possible extension up to 6 months). The starting date is 01.04.2021, or as soon as possible after that date. The salary is based on the collective agreement TVöD-Bund.

How to apply

Interested applicants should submit the complete application consisting of a cover letter, CV, a copy of study records, certificates and optionally contact information of two researcher who could give a recommendation through

https://www.hzdr.de/db/Cms?pNid=490&pOid=62910&pContLang=en

The deadline for applications is 31.03.2021. The application should be submitted in English.

For more information please contact Dr. Arkady Krasheninnikov ([email protected]).

See also

https://scholar.google.fi/citations?user=bPC6HXwAAAAJ

https://www.hzdr.de/db/Cms?pOid=46208&pNid=138