Doctoral position in theoretical modeling of nanocrystal growth 100%

ETH Zürich; Zürich; Vor Ort; CHF 60.000 - 70.000; Vollzeit

Benefits dieser Stelle

Advanced computing facilities

Training and teaching opportunities

International conferences attendance

Zusammenfassung

ETH Zurich's Optical Materials Engineering Laboratory seeks a curious doctoral student to develop theoretical and computational models of semiconductor nanocrystal growth, focusing on CdSe nanoplatelets, magic-sized nanocrystals, and later quantum dots. You will integrate DFT calculations, mass-balance models, and kinetic Monte Carlo simulations, collaborating with experimentalists, and using ETH's HPC resources.

The position is four years at 100% employment.

Qualifikationen

• MSc degree in chemistry, chemical engineering, mechanical engineering, materials science, physics, computational science, or related.
• Strong background in thermodynamics, kinetics, or materials modeling is preferred.
• Experience with theory-experiment collaboration and HPC is advantageous.

Aufgaben

• Develop theoretical/computational descriptions of nucleation and growth of nanocrystals.
• Combine DFT, mass-balance models, and kinetic Monte Carlo to explain growth regimes.
• Collaborate with experimentalists and utilize ETH HPC resources.

Kenntnisse

Density functional theory

Kinetic Monte Carlo

Numerical solutions

Scientific programming

High-performance computing

Ausbildung

MSc in chemistry

MSc in chemical engineering

MSc in mechanical engineering

MSc in materials science

MSc in physics

MSc in computational science

Tools

DFT software

Monte Carlo simulations

Numerical solvers

Scientific computing environments

Jobbeschreibung

Project background

The Optical Materials Engineering Laboratory (Prof. David J. Norris) in the Department of Mechanical and Process Engineering (D-MAVT) at ETH Zurich investigates the synthesis, growth, structure, and optical properties of semiconductor nanomaterials. Our interdisciplinary and international team combines materials chemistry, optical spectroscopy, electron microscopy, theoretical modeling, and numerical simulation to understand and control materials at the nanoscale.

Job description

The doctoral student will develop theoretical and computational descriptions of the nucleation and growth of semiconductor nanocrystals. The initial focus will be on combining existing models for CdSe nanoplatelets and magic-sized nanocrystals. The work will subsequently be expanded to include conventional, continuously growing quantum dots and other semiconductor materials, including InP.

The project will combine three complementary modeling approaches: First, the student will use density functional theory (DFT) to calculate the energies of surfactant-terminated nanocrystal surfaces, edges, steps, and vertices. These calculations will provide physically meaningful parameters for the growth models. They will also be used to identify surfactant molecules that may stabilize particular nanocrystal shapes. Second, the student will construct mass-balance models describing the coupled growth and dissolution of nanocrystal populations. These models will examine the competitive growth of nanoplatelets and magic-sized nanocrystals by solving systems of coupled rate equations. The results will be compared directly with experimental stability measurements. The models will then be extended to include quantum dots, with the goal of explaining the transition between discrete and continuous nanocrystal growth. Third, the student will use kinetic Monte Carlo simulations to investigate the early stages of nanocrystal growth. Such calculations will examine how initially small crystallites develop into competing morphologies and how growth conditions influence the selection of nanoplatelets, magic-sized nanocrystals, or quantum dots.

The doctoral student will work closely with experimentalists responsible for nanocrystal synthesis and growth studies. This interaction between theory and experiment is central to the project: experimental results will provide input for the models, while simulations will guide the design of new experiments. The calculations will be performed using ETH Zurich's high-performance computing infrastructure. In addition to research, the doctoral candidate will contribute to general laboratory activities and will have opportunities to participate in teaching and the supervision of bachelor and master's students.

Profile

We are seeking a curious, motivated, and self-driven candidate with a strong interest in applying theoretical and computational methods to fundamental problems in materials growth. A strong background in thermodynamics, kinetics, statistical mechanics, solid-state physics, physical chemistry, or materials modeling is expected. Applicants 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 would be 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

Prior experience with every method used in the project is not required. The successful candidate should, however, have a strong quantitative foundation and an enthusiasm for learning new computational techniques. Academic excellence, a professional approach to research, and the ability to work independently are expected. The candidate must be able to communicate fluently in English, both orally and in writing, and should enjoy working in a collaborative and international research environment.

We offer

We offer a stimulating doctoral project at the interface of theory, computation, and experiment. The successful candidate will join a collaborative and international research group and will receive training in several complementary approaches to materials modeling. The project provides opportunities for external research collaboration, access to advanced computing facilities, interaction with experimental scientists, participation in international conferences, and the supervision of student research projects.

The position is based in the Department of Mechanical and Process Engineering (D-MAVT) at ETH Zurich's central campus in Zurich, Switzerland. The student will have access to ETH Zurich's high-performance computing resources. D-MAVT is an interdisciplinary department encompassing mechanical, process, chemical, and biomedical engineering, as well as robotics and control. ETH Zurich offers an outstanding scientific environment with extensive opportunities for collaboration across materials science, chemistry, physics, and engineering.

Working, teaching and research at ETH Zurich

In line with our values, ETH Zurich encourages an inclusive culture. We promote equality of opportunity, value diversity and nurture a working and learning environment in which the rights and dignity of all our staff and students are respected. Visit our Equal Opportunities and Diversity website to find out how we ensure a fair and open environment that allows everyone to grow and flourish. Sustainability is a core value for us - we are consistently working towards a climate-neutral future.

Curious? So are we.

Further information about our laboratory can be found on our Website. Questions regarding the position should be directed to David J. Norris, [e-mail] (no applications).

We are recruiting a full-time doctoral candidate to develop theoretical and computational models of semiconductor nanocrystal growth, with an intended starting date on or after October 1, 2026.

The doctoral position is intended for four years at 100% employment and will be supervised by Prof. Dr. David J. Norris. The position is conditional upon admission to the doctoral program at ETH Zurich.