PhD Researcher in Computational Materials Science

vor 3 Wochen

Dresden, Sachsen, Deutschland Technische Universität Dresden Vollzeit
Position Overview:
Join the Faculty of Mechanical Science and Engineering at the Institute of Materials Science as a Research Associate / PhD Student. This role is designed for individuals aiming to enhance their academic qualifications, typically through a PhD program. The position is structured for a duration of 36 months, with potential for extension, and is conducive to part-time employment to support work-life balance.

Key Responsibilities:
  • Conduct research within the Collaborative Research Center CRC1415 focused on the Chemistry of Synthetic 2D Materials.
  • Utilize quantum mechanical (QM) methods in conjunction with advanced machine learning (ML) techniques to analyze and predict the electronic and magnetic characteristics of two-dimensional polymers.
  • Establish data-driven design principles for innovative 2D polymers aimed at applications in catalysis and energy storage.
  • Collaborate closely with synthetic chemists to validate the synthesis of new materials, fostering an interdisciplinary research environment.
  • Perform extensive QM calculations using density functional theory and develop Python-based tools for data analysis.
  • Enhance ML-based computational workflows to investigate structure-property and property-property relationships.

Qualifications:
Candidates should possess a university degree (Master/Diploma) in physics, chemistry, materials science, engineering, or a related field.

Essential Skills:
  • Proficiency in quantum mechanical methods and machine learning approaches, including force field development and generative models.
  • Strong commitment to interdisciplinary collaboration, teamwork, and independent research.
  • Excellent communication and writing skills in English.
  • Familiarity with programming languages such as Fortran and Python, as well as experience with PyTorch, is highly advantageous.
  • Prior computational experience in research related to organic molecules and materials is beneficial but not mandatory.

Diversity and Inclusion:
We are committed to increasing the representation of women in academia and research. We encourage applications from women and welcome candidates with disabilities.

For further information regarding data protection rights and the processing of personal data, please refer to the relevant resources.

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