PhD Researcher in Computational Materials Science

Vor 4 Tagen


Berlin, Berlin, Deutschland Paul Drude Institut Berlin Vollzeit
About the Position

We are seeking a highly motivated PhD student to join our research team at Paul Drude Institut Berlin. The successful candidate will work on the computational design of advanced hybrid group III-V compounds using Density Functional Theory (DFT) and Reactive Force Field (ReaxFF) methods.

The project aims to establish correlations between synthesis parameters and fundamental solid-state phenomena in group III alloys and their group V compounds. The candidate will develop innovative computational methods for stabilizing energetically unfavorable phases and identify new materials with optimized optical, electrical, and structural properties.

The successful candidate will collaborate closely with experts in Physics, Materials Science, Chemistry, and Mathematics to develop and refine tools and models, advancing H-MBE technology and material science.

Key Responsibilities
  • Conduct DFT calculations to explore the thermodynamic and kinetic properties of advanced hybrid materials
  • Develop and validate ReaxFF models to enhance their accuracy and application in computational materials science
  • Implement ReaxFF force fields in large-scale atomistic simulations to predict material behavior under various conditions
  • Analyze simulation results to gain insights for experimental research and collaborate with PDI experimentalists to validate and complement computational findings
Requirements
  • Bachelor's and Master's degree in materials science, chemistry, physics, or a related field
  • Preferential background in computational materials science with experience in DFT and/or molecular dynamics simulations
  • Programming skills using Python, MATLAB, or C++, and familiarity with Linux/Unix environments and high-performance computing (HPC) systems
  • Effective communication skills, both written and verbal in English, for presenting research findings and collaborating with team members
What We Offer
  • Unique theory/simulation capabilities
  • Modern laboratories with a wide range of experimental techniques
  • Supportive environment with experts for various scientific sub-fields
  • International and culturally diverse community
  • Location in the heart of Berlin with excellent public transport connections


  • Berlin, Berlin, Deutschland Paul Drude Institut Berlin Vollzeit

    About the PositionWe are seeking a highly motivated PhD student to join our research team at Paul Drude Institut Berlin. The successful candidate will work on the computational design of advanced hybrid group III-V compounds using Density Functional Theory (DFT) and Reactive Force Field (ReaxFF) methods.The project aims to establish correlations between...


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  • Berlin, Berlin, Deutschland Paul Drude Institut Berlin Vollzeit

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