Blätter-Navigation

Angebot 8 von 181 vom 24.02.2026, 12:01

logo

Paul-Drude-Institut für Festkörperelektronik (PDI) - Computationla Material Science

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.

Diamond in a Drop: Modeling Low-Pressure Growth in Liquid Metals

Master Thesis Topic, Computational Material Science

Tasks:

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.

Requirements:

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.

What we offer:

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

How to apply:

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