Postdoctoral Fellow in Thermodynamic Modelling and Equations of State

EPFL CED Centre d'Employabilité et de Développement / Employability and Development Center; Moyen; On-site; EUR 87,000 - 120,000; Full time

Benefits offered by this job

On-site infrastructure

On‑the‑job training

Personal development opportunities

Job summary

The Paul Scherrer Institute (PSI) invites applications for a Postdoctoral Fellow in Thermodynamic Modelling and Equations of State. You will develop and apply equations of state, compile data, and contribute to open-source thermodynamics projects.

You will collaborate with PSI researchers and partners at New Mexico Tech, publish findings, and advance thermodynamic databases. A fixed-term contract of 2 years is offered, with strong on-site facilities.

Qualifications

• PhD in geochemistry, physical chemistry, chemical engineering, computational science or related field with background in chemical thermodynamics.
• Experience with scientific programming in Python and/or C++ or demonstrated 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, others), 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++

Non-linear least-squares fitting

Parameter optimisation

Uncertainty estimation

Thermodynamics modelling

Education

PhD in geochemistry or related field

Tools

GEMS

PHREEQC

SUPCRT / SUPCRTBL

Reaktoro

HKF model

Job description

Lieu de travail

Villigen PSI

• Paul Scherrer Institut
• 100%
• Académique: Post-doctorant
• Moyen-Pays (SO, AG)

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.

Postdoctoral Fellow in Thermodynamic Modelling and Equations of State

Your tasks

• 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.