Postdoc: Thermodynamic Modelling & EOS

Jobup; Villigen; On-site; CHF 90,000 - 140,000; Full time

Job summary

Paul Scherrer Institute in Villigen is seeking a highly qualified scientist to develop equations of state and activity models for hydrothermal systems, and to compile and interpret thermodynamic data. You will collaborate with PSI and international researchers, contribute to publications, and help extend open-source thermodynamic databases.

The role focuses on parameter estimation, model development, and integration into the GEMS/ThermoEcos ecosystem, with opportunities for dissemination at

Qualifications

• 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.

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 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++ scientific programming

Non-linear least-squares fitting

Uncertainty estimation

AI programming support

Education

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

Tools

GEMS

PHREEQC

SUPCRT/SUPCRTBL

Reaktoro

Job description

Paul Scherrer Institute in Villigen is seeking a highly qualified scientist to develop equations of state and activity models for hydrothermal systems, and to compile and interpret thermodynamic data. You will collaborate with PSI and international researchers, contribute to publications, and help extend open-source thermodynamic databases.

The role focuses on parameter estimation, model development, and integration into the GEMS/ThermoEcos ecosystem, with opportunities for dissemination at