The Optical Materials Engineering Laboratory in the Department of Mechanical and Process Engineering (D-MAVT) at ETH Zurich investigates the synthesis, growth, structure, and optical properties of semiconductor nanomaterials. The team combines materials chemistry, optical spectroscopy, electron microscopy, theoretical modeling, and numerical simulation to understand and control materials at the nanoscale. The central aim of this project is to develop a universal theoretical framework that explains how different nanocrystal growth modes emerge, guiding experiments toward improved control over nanocrystal size, shape, and optical properties.
Tasks
- Develop theoretical and computational descriptions of the nucleation and growth of semiconductor nanocrystals.
- Combine existing models for CdSe nanoplatelets and magic-sized nanocrystals, expanding to include quantum dots and other semiconductor materials such as InP.
- Use density functional theory (DFT) to calculate energies of surfactant-terminated nanocrystal surfaces, edges, steps, and vertices, and identify surfactant molecules that may stabilize particular nanocrystal shapes.
- Construct mass-balance models describing the coupled growth and dissolution of nanocrystal populations, examining competitive growth by solving systems of coupled rate equations and comparing results with experimental measurements.
- Extend models to include quantum dots to explain the transition between discrete and continuous nanocrystal growth.
- Use kinetic Monte Carlo simulations to investigate early stages of nanocrystal growth and how growth conditions influence morphology selection.
- Work closely with experimentalists responsible for nanocrystal synthesis and growth studies, integrating experimental results into models and guiding new experiments.
- Perform calculations using ETH Zurich’s high-performance computing infrastructure.
- Contribute to general laboratory activities and participate in teaching and supervision of bachelor and master’s students.
Requirements
- Curious, motivated, and self-driven with a strong interest in applying theoretical and computational methods to fundamental problems in materials growth.
- Strong background in thermodynamics, kinetics, statistical mechanics, solid-state physics, physical chemistry, or materials modeling.
- Must hold, or be close to completing, an MSc degree in chemistry, chemical engineering, mechanical engineering, materials science, physics, computational science, or a closely related discipline.
- Experience in one or more of the following areas is advantageous: density functional theory and electronic-structure calculations, kinetic Monte Carlo or other stochastic simulation methods, numerical solution of coupled differential or rate equations, atomistic or mesoscale modeling of materials, semiconductor nanocrystals, surfaces, or colloidal growth, scientific programming, high-performance computing.
- Strong quantitative foundation and enthusiasm for learning new computational techniques.
- Academic excellence, professional approach to research, and ability to work independently.
- Fluent communication in English, both orally and in writing.
- Enjoy working in a collaborative and international research environment.
Benefits
- Stimulating doctoral project at the interface of theory, computation, and experiment.
- Membership in a collaborative and international research group.
- Training in several complementary approaches to materials modeling.
- Opportunities for external research collaboration.
- Access to advanced computing facilities.
- Interaction with experimental scientists.
- Participation in international conferences.
- Supervision of student research projects.
- Position based at ETH Zurich’s central campus in Zurich, Switzerland.
- Access to ETH Zurich’s high-performance computing resources.
- Outstanding scientific environment with extensive opportunities for collaboration across materials science, chemistry, physics, and engineering.
- Inclusive culture that promotes equality of opportunity, values diversity, and nurtures a respectful working and learning environment.
- Commitment to sustainability and working towards a climate-neutral future.
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Über uns
Das Team
The Optical Materials Engineering Laboratory is an interdisciplinary and international team that collaborates closely between theory and experiment, combining expertise in materials chemistry, spectroscopy, microscopy, modeling, and simulation.