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The Materials Theory and Modelling group, led by Dr Emilia Olsson, investigates how atomic structure affects materials properties in the context of thin films and interfaces for the semiconductor industry and beyond. Our goal is to be at the forefront of the design and optimisation of novel materials solutions utilising cutting-edge computational techniques. Using these approaches, we aim to push the boundaries of what is possible in materials science, developing application specific functional materials that have the potential to revolutionise industries. In tandem, helping to solve a raft of academic and industry challenges, driving us towards a more sustainable future.

Our group uses density functional theory and molecular dynamics based techniques, being firmly based in the Ångström and nanometer regime. We also expand into larger materials modelling scales, embracing multi scale modelling and machine learning allowing a computational materials design framework to be used in our aim to understand and design interfaces from the atomic scale for next generation technologies. 

Our group is part of the Materials Department at the Advanced Research Center for Nanolithography (ARCNL) and the Condensed Matter Theory group at the Institute of Theoretical Physics University of Amsterdam.  


The need for sustainable and high performing materials is ever increasing. Moving away from a fossil fuel fueled economy requires new green technologies and materials, and the technologies of the future requires us to push materials to the extremes. Materials design plays a pivotal role in this transition, and the future technologies cannot be realised without efficient materials. Using computational materials modelling, we study the smallest building blocks making up these next generation  technologies.

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