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PhD in Computational Materials Design (No replies)
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We have a fully funded PhD position in Computational Materials Design of Novel Coating Materials in the Materials Theory and Modelling group led by Emilia Olsson at the Advanced Research Center for Nanolithography (ARCNL) and Institute for Theoretical Physics (ITFA) Condensed Matter Theory group at University of Amsterdam, the Netherlands.
Coatings are ubiquitous parts of our everyday life and as technologies keep pushing boundaries, the search for new functional coating materials is getting more and more complex. In this PhD project, you will investigate and design coating materials with an application focus. These materials are either carbide bulk materials, or 2D materials such as graphene, transition metal dichalcogenides, or MXenes. These materials have applications in catalysis, energy storage, semiconductors, and nanolithography. Until now, most research studies have been limited to the understanding and optimization of the isolated coating material, but in real applications, the coating will be interfaced with other materials (typically a complex oxide).
In this PhD project, you will use density functional theory to predict and understand how the materials properties changes at interfaces, and what effect moving away from the ideal isolated and pristine materials has. Not stopping at the isolated coating material properties will allow you to not only design new materials, but show how these will perform in practical solutions. You will develop a computational framework to model and predict interfacial structures for your novel coating material/oxide materials interfaces, directly taking into account disorder and non-ideal structures. Using these new models, you will probe how defects affect the electronic and mechanical properties of the system, and assess the effect of ambient environment on interface stability.
About the institute
The Advanced Research Center for Nanolithography (ARCNL) focuses on the fundamental physics and chemistry involved in current and future key technologies in nanolithography, primarily for the semiconductor industry. ARCNL is a public-private partnership between the Dutch Research Council (NWO), the University of Amsterdam (UvA), the VU University Amsterdam (VU), associate partner the University of Groningen (RuG), and the semiconductor equipment manufacturer ASML.
The research activities of the Materials Theory and Modelling group aim at the atomic- and molecular-level understanding of structure property relationships from bulk to interfaces, from crystalline to amorphous. We employ and develop cutting-edge computational methodologies to predict and understand materials properties and how these change at interfaces and as a function of disorder.
Qualifications
You have (or soon will have) a MSc degree in physics, chemistry, or materials science to satisfy the Dutch university requirement to enter into a PhD program. Previous experience with computational materials modelling is required, with demonstrable hands on experience with density functional theory simulations. Experience with molecular dynamics and machine learning is advantageous. Programming skills (Python) are welcomed, and previous experience with Linux is mandatory. An interest in materials physics and chemistry is needed, with a critical, and creative problem solving mindset. You are an accountable person that wants to grow as a researcher, and works well individually taking ownership of your work, and equally well in a group. Good verbal and written communication skills in English are required.
Applications will be evaluated on a rolling basis and as soon as an excellent match is made, the position will be filled. Commercial activities in response to this ad are not appreciated. All further information and contact details can be found at https://arcnl.nl/jobs/phd-student-computational-materials-design-of-novel-coating-materials.
Applications will only be accepted through the ARCNL application portal. Applications through other channels will not be considered.