Postdoctoral position in Multiscale Materials Modelling

The Materials Modelling Group of ICCRAM is participating in different European projects such as NEFERTITI (Innovative photocatalysts integrated in flow photoreactor systems for direct CO2 and H2O conversion into solar fuels), DIAGONAL (Development and scaled Implementation of sAfe by design tools and Guidelines for multicOmponent aNd hArn nanomateriaLs).

For the period of two years the candidate will be involved in developing computational studies using multiscale approaches for the design and characterization of complex nanomaterials. Methods based on first principles, ab initio molecular dynamics, classical molecular dynamics, Monte Carlo, Kinetic Monte Carlo as well as mesoscale approaches will be applied. The studies will consider thermal and photocatalysts for CO2 conversion to green fuels, multicomponent nanomaterials characterization and interaction with biomolecular systems as well as different materials for energy and environmental applications.

  The selected candidate will be linked to the Materials Modelling Group of ICCRAM. The research will be executed in collaboration with    different European institutions and companies as part of different project consortiums.

Specific tasks

• Developing multiscale simulations of materials required for the projects in course, with particular attention to first principles and molecular dynamics simulations.
• Programming code when required for methods development or results analysis.
• Fulfilling the assigned objectives for the projects under development, according to the schedule of each project.
• Writing reports according to the projects’ deliverables.
• Supervising undergraduate students involved in the projects under development.
• Writing manuscripts for peer reviewed journals.
• Report of the activities, participation and presentation of the work developed in Project Meetings.
• Contribution to project proposals in material modelling area.