PhD Position: Molecular Thermodynamics and Transport Modeling for the Energy Transition

Poste a pourvoir : PhD Position: Molecular Thermodynamics and Transport Modeling for the Energy Transition -- Zurich -- myScience.

ETH Zurich propose une thèse en thermodynamique moléculaire.
Tâches
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Développer des modèles pour décrire le transport dans les membranes.
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Quantifier les performances des nouveaux matériaux membranaires.
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Encadrer des projets d'étudiants et publier des résultats.
Compétences
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Master en ingénierie chimique ou domaine connexe requis.
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Expérience en Python et développement de logiciels scientifiques.
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Capacité à travailler de manière autonome et à communiquer.
PhD Position: Molecular Thermodynamics and Transport Modeling for the Energy Transition
Eidgenossische Technische Hochschule Zürich, ETHZ
Workplace
Zurich
- Zurich region - Switzerland
Category
Environment | Chemistry
Position
Junior Researcher / PhD Position
Published
29 May 2026
Closing Date
8 June 2026
PhD Position: Molecular Thermodynamics and Transport Modeling for the Energy Transition
100%, Zurich, fixed-term
The Molecular Engineering Thermodynamics (MET) group at ETH Zurich is looking for a doctoral student to develop and improve computational tools for the molecular scale description of mass transport in membranes with an application to separation processes. The MET group at ETH Zurich, led by Philipp Rehner, is dedicated to linking rigorous physical molecular models to the design of sustainable processes in chemical engineering. To bridge the scale from molecules to processes, we apply state-of-the art mathematical concepts and tools combined with highly efficient computational methods. A particular focus is on the modeling of interfacial phenomena in process design applications. Our technological focus is on emerging technologies for the energy transition.
Project background
A sustainable supply of our energy and materials demands must be built on novel processes that feature renewable feedstocks, green energy supply, and improved energy efficiency. An efficient design of novel processes needs to account for the interactions of molecules and materials with the process performance that occur at interfaces: e.g., adsorbent materials, heat exchanger surfaces, or membranes.
The ProMote project establishes an integrated material and process design workflow that - for the first time - incorporates rigorous molecular models for interfacial phenomena directly into the evaluation and design of processes. To bridge the gap between the continuum world of process design and the stochastic nature of molecules, the ProMote project proposes the application of classical density functional theory - a molecular-scale continuum description of inhomogeneous systems - in process design and, therefore, to fuse the scales from molecules to processes.
To overcome the computational challenge of applying molecular models at process scales, the project combines efficient mathematical concepts like automatic differentiation with backpropagation - the same concept that powers machine learning and artificial intelligence everywhere - with rigorous physical models that are robust and interpretable due to their physical constraints. In the ProMote project, the integrated design workflow will be demonstrated for three emerging technologies: carbon capture, high-temperature heat pumps, and membrane separations.
Job description
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Your primary task will be to develop and implement models for the molecular description of transport resistivities in micro- or nanoporous materials
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The models will then be used to quantify mass transport through membranes in order to evaluate the performance of novel membrane materials in industrial separation processes
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Your role will also involve mentoring and co-supervising student projects and theses
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You will engage in various group and institute duties and activities
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As an integral part of your work, you will publish your results in peer-reviewed journals and present them at international conferences
Profile
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You meet the requirements for a doctoral program at ETH Zurich and have an excellent Master’s or diploma in chemical engineering, process engineering, mechanical engineering, physics, energy science & technology, physical chemistry, or a related field
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Ideally, you already have experience working computationally and developing scientific software
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Experience in Python is highly recommended, additional knowledge of performance-
oriented modeling frameworks, either based on Python (e.g., JAX, Pytorch) or other programming languages (e.g., C++, Rust, Julia) are welcome
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You are interested and able to develop thermodynamic models while gaining a solid understanding of the underlying physical processes
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The ability to work independently and excellent communication and writing skills in English complete your profile
Workplace
We offer
We offer a full-time position for the duration of your doctoral studies, starting upon agreement with the earliest starting of 1st of September, 2026. We are providing a supportive environment that fosters professional and personal growth . You will join a dynamic, motivated and interdisciplinary team of researchers with expertise in thermodynamics, process design, energy system optimization, and life cycle assessment, working collaboratively with research and industry partners. You will work in an inspiring, collaborative environment to address critical global challenges. It includes opportunities to engage in group discussions and collaborative efforts spanning from the molecular level to the systems scale, offering insights into diverse methods and approaches.
The PhD position provides access to state-of-the-art computational power enabling impactful research. The position supports the development of critical thinking, data analysis, problem-solving, and project management skills while contributing to the broader academic community through publications and presentations at leading conferences.
Working, teaching and research at ETH Zurich
We value diversity and sustainability
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.
We look forward to receiving your online application until 28 June 2026 with the following documents:
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Curriculum Vitae, max. 2 pages
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Motivational Letter, max. 2 pages
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Transcript of records
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Contact details of 2 references
Further information about the Molecular Engineering Thermodynamics (MET) group can be found on our Website . Questions regarding the position should be directed to Prof. Philipp Rehner,
E-Mail schreiben
(no applications).
Please note that we exclusively accept applications submitted through our online application portal. Applications via email or postal services will not be considered.
We will get in touch with you after 2-3 weeks following the submission deadline.
Apply online now
ETH Zurich is one of the world’s leading universities specialising in science and technology. We are renowned for our excellent education, cutting-edge fundamental research and direct transfer of new knowledge into society. Over 30,000 people from more than 120 countries find our university to be a place that promotes independent thinking and an environment that inspires excellence. Located in the heart of Europe, yet forging connections all over the world, we work together to develop solutions for the global challenges of today and tomorrow.
More information
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