PhD Candidate in Computational Nanoelectronics

Kongens Lyngby, Capital Region
Posted 3 weeks ago
Research and Development

About the role

Job summary

A PhD position is available focusing on theoretical nanoelectronics through predictive first principles calculations. The role involves modeling and simulating electron transport in interfaces formed by twisted layers of ultra-thin oxide membranes and two-dimensional van der Waals materials, which exhibit significant moiré patterns and tunable properties based on twist angles.

Qualifications

  • A two-year master's degree (120 ECTS points) or equivalent academic level.

Responsibilities

  • Predict atomic and electronic structures at interfaces using Density Functional Theory (DFT).
  • Conduct electron transport calculations integrating DFT with non-equilibrium Greens function methods.
  • Apply Machine Learning (ML) techniques to enhance DFT applications to larger experimental systems.
  • Develop computational workflows for screening calculations involving twist angles, voltage bias, and gate potential.
  • Collaborate with project partners to interpret experimental findings.
  • Contribute to the development of open-source computational tools.

Skills

  • Strong background in theoretical or computational condensed matter physics.
  • Experience in scientific programming and atomistic simulations.
  • Interest in DFT, electron transport, and machine learning.
  • Ability to communicate scientific results effectively in English.

Education

  • A master's degree or equivalent in a relevant field.

Tools

  • Density Functional Theory (DFT), Non-equilibrium Greens function methods, Machine Learning (ML) techniques.
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