Post-doctoral Researcher: Modelling graphene based nanocomposites for energy applications

Research area or group: Theoretical and Computational Nanoscience Group Description of Group/Project: The host develops cutting-edge theoretical research on quantum transport phenomena in graphene and 2D materials and has a long experience in large-scale simulations of complex materials.


In-house methodologies allow the simulation of disordered materials containing up to hundred millions atoms, enabling predictive modelling and collaboration with experimental and technology research. The group has been funded by company such as SAMSUNG, and is member of the Graphene Flagship project since 2014.

The project is connected to an ERA-NET FLAGERA project in which other European partners will take part of the work through an established collaboration framework. The partnership includes Chalmers University of Technology, Université Catholique de Louvain, Izmir Institute of Technology, University of Cagliari, National Research Council of Italy, CNR-ISOF as well as a Spanish company in the field of graphene composites (AVANZARE)

Main Tasks and responsibilities: The candidate will develop charge transport studies in realistic models of graphene oxide (GO) and reduced graphene oxides (rGO) compounds, to understand the fundamental mechanisms underlying charge scattering due to various types of defects as well as to quantify the evolution of charge mobility for different nature and density of defects, and the influence of inter-flake interaction. In a second stage he/she will study heat transport by calculating the thermal conductivity in single-/multiple-layer GO and the thermal boundary resistance at GO/rGO interfaces, and accounting for nanocrystalline GO, to correlate transport and grain populations features (average grain size and distribution, stoichiometry, etc), and consider the effect of quantum corrections.

Education, Experience, Knowledge and Competences required: Theoretical physics and quantum simulations (molecular dynamics DFT and/or tight-binding modelling), and experience in electronic and/or thermal transport simulation would be a plus. Fluent in English.

Research Career Profile (According to the European Framework for Research Careers): Recognised Researcher (R2)

Summary of conditions:

  • Full time work (37,5h/week)
  • Contract Length: 2 years.
  • Salary will depend on qualifications and demonstrated experience.
  • Salary according to the cost of living in Barcelona.
  • Support to the relocation issues.
  • Life Insurance.


Where to apply



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