PhD Position: Molecular Thermodynamics Modeling for the Energy Transition 100%, Zurich, fixed-term
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PhD Position: Molecular Thermodynamics Modeling for the Energy Transition
100%, Zurich, fixed-term
print Drucken
The upcoming Molecular Engineering Thermodynamics (MET) Group at ETH Zürich is looking for a doctoral student to
develop and improve computational tools for the molecular scale description of interfaces with an application to
nucleation phenomena. 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
- Your primary task will be to develop and implement models for the microscopic description of vapor-liquid and
fluid-solid interfaces
- The models will then be used to quantify nucleation energies in order to gain insights into nucleation phenomena
like homogeneous nucleation, cavitation, and heterogeneous nucleation
- The focus will be on relating intermolecular interactions within the fluid and between the fluid and the solid
surface to macroscopic phenomena like the heat transfer in an evaporator
- Your role will also involve mentoring and co-supervising student projects and theses. Additionally, you will engage
in various group and institute duties and activities
- As an integral part of your work, you will publish your results in peer-reviewed journals and present them at
international conferences
Profile
- 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, energy science & technology, physical chemistry, or a related
field
- Ideally, you already have experience working computationally and developing scientific software. 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
- You are interested and able to develop thermodynamic models while gaining a solid understanding of the underlying
physical processes
- The ability to work independently and excellent communication and writing skills in English complete your profile
Workplace
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 April, 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.
chevron_right 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 with the following documents:
- Curriculum Vitae, max. 2 pages
- Motivational Letter, max. 2 pages
- Transcript of records
- Contact details of 2 references
We exclusively accept applications submitted through our online application portal before January 31st, 2026 . We will
not consider applications sent via email or postal services. We will get in touch with you after 2-3 weeks following
the submission deadline.
Questions regarding the position should be directed to Dr. Philipp Rehner prehner@ethz.ch (no applications).
About ETH Zürich
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.
About ETH Zürich
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.
100%, Zurich, fixed-term
print Drucken
The upcoming Molecular Engineering Thermodynamics (MET) Group at ETH Zürich is looking for a doctoral student to
develop and improve computational tools for the molecular scale description of interfaces with an application to
nucleation phenomena. 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
- Your primary task will be to develop and implement models for the microscopic description of vapor-liquid and
fluid-solid interfaces
- The models will then be used to quantify nucleation energies in order to gain insights into nucleation phenomena
like homogeneous nucleation, cavitation, and heterogeneous nucleation
- The focus will be on relating intermolecular interactions within the fluid and between the fluid and the solid
surface to macroscopic phenomena like the heat transfer in an evaporator
- Your role will also involve mentoring and co-supervising student projects and theses. Additionally, you will engage
in various group and institute duties and activities
- As an integral part of your work, you will publish your results in peer-reviewed journals and present them at
international conferences
Profile
- 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, energy science & technology, physical chemistry, or a related
field
- Ideally, you already have experience working computationally and developing scientific software. 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
- You are interested and able to develop thermodynamic models while gaining a solid understanding of the underlying
physical processes
- The ability to work independently and excellent communication and writing skills in English complete your profile
Workplace
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 April, 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.
chevron_right 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 with the following documents:
- Curriculum Vitae, max. 2 pages
- Motivational Letter, max. 2 pages
- Transcript of records
- Contact details of 2 references
We exclusively accept applications submitted through our online application portal before January 31st, 2026 . We will
not consider applications sent via email or postal services. We will get in touch with you after 2-3 weeks following
the submission deadline.
Questions regarding the position should be directed to Dr. Philipp Rehner prehner@ethz.ch (no applications).
About ETH Zürich
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.
About ETH Zürich
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.