PDI is a research institute in Berlin, Germany. We perform basic and applied research at the nexus of materials science, condensed matter physics, and device engineering.

Why Diamond Matters
Diamond Isn’t Just for Jewelry — It’s the Future of Quantum Tech!
From quantum sensors to qubits, diamond’s unmatched properties — extreme hardness, biocompatibility radiation resistance, and record-breaking thermal conductivity — make it a
superstar material for next-gen technologies. But growing diamond sustainably, and at low
pressure, is a game-changer. This thesis explores how carbon atoms turn into diamonds in liquid metal systems, using atomistic simulations to uncover the atomic magic behind a process that could reshape the future of quantum materials.

Your Mission

• Study how carbon behaves in molten metal alloys (Ga–Fe–Ni–Si) at moderate temperatures and
  atmospheric pressure.
• Explore key factors (supersaturation, bonding, surface effects) that control the formation of diamond
  (sp³) vs. graphite (sp²).
• Provide theoretical insights to guide experimental efforts in low-pressure diamond synthesis with
  liquid metal catalysts.

Expected Outcomes

• A validated atomistic simulation workflow for modeling carbon transport and nucleation in molten
  metal systems.
• Practical recommendations (a "growth recipe") for enhancing low-pressure, seed-free diamond
  growth with liquid metal catalysts.
• Potential contribution to a peer-reviewed publication and poster presentation on key findings.
  Skills You’ll build
• DFT Calculations: Learn to perform density functional theory calculations to analyze material
  behaviors.
• Molecular Dynamics Simulations: Gain hands-on experience running simulations to study atomic
  and molecular dynamics.
• Experience with Supercomputers: Utilize high-performance computing (HPC) systems to run
  large-scale simulations
• Scientific Communication: Develop the ability to present and publish your research findings in a
  professional context.
• Collaborative Research: Work in a collaborative environment that fosters teamwork and idea-
  sharing.

Your Profile

• Bachelor’s degree in materials science, physics, or a related field
• (Optional) Background in Programming skill using such as Python and familiarity with Linux/Unix
  environments
• Effective communication skills in english and a genuine enthusiasm for contributing to cutting-edge
  research in the field of materials science.

Opportunities and Benefits

• 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, a subsidized travel ticket
• Possibility to participate in professional development programs

Nadire Nayir
nayir@pdi-berlin.de
+49 30 20377 243