Phd Position in Computer-aided Catalyst Design - Zurich, Schweiz - ETH Zürich

ETH Zürich

Geprüftes Unternehmen

Zurich, Schweiz

vor 1 Woche

Geschrieben von:

Lena Schneider

beBee Recruiter

Beschreibung

PhD position in computer-aided catalyst design:

100%, Zurich, fixed-term:

The Digital Chemistry Laboratory is led by Prof. Dr.

Kjell Jorner at the Institute of Chemical and Bioengineering, within the Department of Chemistry and Applied Biosciences at ETH Zurich.

Our mission is to accelerate chemical discovery using digital tools. We predict chemical reactivity and molecular properties using the tools of machine learning, computational chemistry, and cheminformatics. Our ultimate goal is the computer-aided design of molecules and especially catalysts.

Project background:

Catalysts are needed to produce the large amounts and types of chemicals that we use in modern life.

Development of new catalysts and improvement of existing ones enable us to, for example, synthesize new types of medicines or increase the efficiency of industrial processes.

New catalyst will also be needed for the transition to chemical production from sustainable feedstocks and chemical recycling. Computer-aided catalyst design aims to accelerate the currently slow process of catalyst development.

This project focuses on development of new methods for computer-aided molecular design using a combination of quantum-chemical simulations and machine learning.

Initially, focus will be on catalysis for generation of small organic molecules by simple catalysts such as Lewis acids, and the scope will later be widened to more complicated systems.

The project is highly interdisciplinary and will be carried out in collaboration with groups in theoretical chemistry, computer science and applied mathematics.

Job description:

As a PhD student in our growing team, you will perform quantum-chemical simulations using the Chemoton autonomous reaction simulation software to generate large datasets for catalyzed chemical reactions.

Building on the generated data, you will work with our collaborators in computer science and applied mathematics to develop state-of-the art generative machine learning models to design improved catalysts for these reactions.

Your profile:

Essential experience, skills, and characteristics:

A Master's degree in chemistry, chemical engineering, computational science, physics, or related fields, or expectation of obtaining such a degree before September 202
English proficiency.
Selfmotivation, ability to work independently and solutionoriented mentality.
Interdisciplinary and collaborative mindset and desire to work with people from different disciplines and backgrounds.
Programming experience using languages such as Julia, Python, R, etc.

Desirable criteria:

Experience of quantumchemical simulations from research projects or thesis
Familiarity with reactions mechanisms and their description through transition state theory

We offer:

You will join a new, dynamic, and growing research group in the emerging field of Digital Chemistry in the highly motivating environment of ETH Zurich.

We foster a modern and supportive group culture and value diversity, independence, and initiative.

The position is embedded in an exciting and interdisciplinary research environment with connections to the ETH AI Center and the National Competence Center for Research, NCCR Catalysis, connecting the chemical sciences, digitalization, and sustainability.

ETH also hosts the SwissCat+, a data-driven technology platform with high-throughput experimentation for catalysis.

A competitive salary is paid according to Rate 2 of the Doctoral student salary ladder.

We value diversity:

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.

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