Job Title: PhD Position: Molecular Thermodynamics Modeling for the Energy Transition

22/12/2025

Job Title: PhD Position: Molecular Thermodynamics Modeling for the Energy Transition
Hiring Company: 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. 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
Learn more about the company here
Job location: Zurich, Switzerland
Requirements:

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

To learn more and apply to the role, kindly click here

1 Comment

Mehtab Ali

27/12/2025 09:40:58 am

I am writing to express my strong interest in the PhD position on Molecular Thermodynamics Modeling for the Energy Transition within the Molecular Engineering Thermodynamics (MET) Group at ETH Zürich.
I have recently completed my MSc by Research in Chemical Engineering, where my work combined molecular-level modeling with rigorous physical interpretation. My research focused on functional materials for energy and separation applications, supported by extensive computational modeling and molecular simulations to understand interfacial phenomena and structure-property relationships.
Through my research, I have developed a solid foundation in thermodynamics, molecular modeling, and transport phenomena, and I am particularly interested in extending this knowledge toward the molecular-scale description of interfaces and nucleation phenomena. I am highly motivated by your approach of combining physically constrained thermodynamic models with efficient computational frameworks, including automatic differentiation and backpropagation, to bridge molecular and process scales.
I have hands-on experience working computationally and am comfortable developing and modifying scientific workflows in Python. I am keen to further develop performance-oriented modeling skills and to work with modern computational frameworks while maintaining strong physical interpretability of models. Currently, I am also engaged in research involving computational studies relevant to the energy transition, which has strengthened my interest in predictive thermodynamic modeling.
I am highly self-motivated, able to work independently, and possess strong scientific communication and writing skills in English. I would be honored to pursue my doctoral research at ETH Zürich and to contribute to the MET Group’s efforts in advancing molecular thermodynamics for sustainable energy technologies.

Thank you very much for your time and consideration. I would welcome the opportunity to further discuss my application.

Kind regards,
Mehtab Ali

Job opportunities in membrane technology

Job Title: PhD Position: Molecular Thermodynamics Modeling for the Energy Transition

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