Postdoctoral Fellow in Thermodynamic Modelling and Equations of State

PSI; Villigen; Remote; CHF 120,000 - 160,000; Full time

Job summary

The Paul Scherrer Institute (PSI) seeks a Postdoctoral Fellow in Thermodynamic Modelling and Equations of State to develop and apply advanced models for hydrothermal systems. You will work on experimental data interpretation, database development, and contribute to open-source tools with researchers at PSI and New Mexico Tech.

You will collaborate on publications and present results at international conferences, contributing to interdisciplinary research in geochemistry and computational

Qualifications

• PhD in geochemistry or related field with background in chemical thermodynamics.
• Experience with Python and/or C++ for scientific programming, or ability to develop scientific software including AI programming support.
• Experience with non-linear least-squares fitting, parameter optimisation and uncertainty estimation.
• Experience with geochemical modelling codes (GEMS, PHREEQC, SUPCRT / SUPCRTBL, Reaktoro, other), the HKF model or density-based EoS and with thermodynamic database development is an advantage.

Responsibilities

• Develop and apply equations of state and activity models for modeling fluid-rock interaction in hydrothermal systems and the mobility of critical elements
• Compile, evaluate and interpret experimental thermodynamic data and use physical, statistical and/or machine learning methods to estimate missing model parameters
• Contribute to the development and extension of internally consistent thermodynamic databases (e.g. Mines thermodynamic database)
• Contribute to the GEMS / ThermoEcos open-source ecosystem (ThermoFun, ThermoExp, GEMS, GEMSFITS)
• Collaborate with researchers at PSI and New Mexico Tech (USA), contribute to publications and present results at international conferences

Skills

Python

C++

AI programming

Non-linear fitting

Uncertainty estimation

GEMS

PHREEQC

Reaktoro

SUPCRT/SUPCRTBL

Education

PhD in geochemistry / physical chemistry / chemical engineering / computational science

Tools

GEMS

PHREEQC

Reaktoro

SUPCRT/SUPCRTBL

Job description

The Paul Scherrer Institute PSI is the largest research institute for natural and engineering sciences within Switzerland. We perform cutting-edge research in the fields of future technologies, energy and climate, health innovation and fundamentals of nature. By performing fundamental and applied research, we work on sustainable solutions for major challenges facing society, science and economy. PSI is committed to the training of future generations. Therefore, about one quarter of our staff are post-docs, post-graduates or apprentices. Altogether, PSI employs 2300 people. For the Laboratory for Waste Management LES we are looking for a

Postdoctoral Fellow in Thermodynamic Modelling and Equations of State

• Develop and apply equations of state and activity models for modeling fluid-rock interaction in hydrothermal systems and the mobility of critical elements
• Compile, evaluate and interpret experimental thermodynamic data and use physical, statistical and/or machine learning methods to estimate missing model parameters
• Contribute to the development and extension of internally consistent thermodynamic databases (e.g. Mines thermodynamic database)
• Contribute to the GEMS / ThermoEcos open-source ecosystem (ThermoFun, ThermoExp, GEMS, GEMSFITS)
• Collaborate with researchers at PSI and New Mexico Tech (USA), contribute to publications and present results at international conferences

Your profile

• PhD degree in geochemistry, physical chemistry, chemical engineering, computational science or a related field, with background in chemical thermodynamics
• Experience with scientific programming in Python and/or C++ or demonstrated ability to develop scientific software including the use of AI programming support
• Experience with non-linear least-squares fitting, parameter optimisation and uncertainty estimation
• Experience with geochemical modelling codes (GEMS, PHREEQC, SUPCRT / SUPCRTBL, Reaktoro, other), the HKF model or density-based EoS and with thermodynamic database development is an advantage

We offer

Our institution is based on an interdisciplinary, innovative and dynamic collaboration. You will profit from a systematic training on the job, in addition to personal development possibilities and our pronounced vocational training culture. If you wish to optimally combine work and family life or other personal interests, we are able to support you with our modern employment conditions and the on-site infrastructure.

Your employment contract is limited to 2 years.

For further information, please contact Dr George-Dan Miron, email [e-mail].

Please submit your application online by 1 December 2026 (including list of publications, code and model development, and addresses of referees) for the position as a Postdoctoral Researcher in Thermodynamic Modelling and Equations of State (Index-Nr. 4400-30164).

Paul Scherrer Institute, People & Culture, Serdal Varol, 5232 Villigen PSI, Switzerland