PhD Position in Molecular Modelling of Materials for Energy and Sustainability

Das ist der Job

The degree of employment is 100%, with a contract starting on 01.11.2026, or on a mutually agreed date.

Darum lohnt es sich

PhD Position in Molecular Modelling of Materials for Energy and Sustainability The University of Applied Sciences and Arts of Southern Switzerland (SUPSI) invites applications for a PhD Position in Molecular Modelling of Materials for Energy and Sustainability at the Institute of Mechanical Engineering and Materials Technology (MEMTI) within the Department of Innovative Technologies (DTI), located in Lugano.

Duties and responsibilities The PhD project is part of the laboratory’s research activities in the field of: Atomistic modelling of catalytic systems to produce sustainable energy carriers (e.g., hydrogen, ammonia, methanol, synthetic fuels). Study of molecular mechanisms at interfaces.

Development and application of advanced molecular simulation methods. Integration of machine learning techniques in the modelling of materials and chemical reactions. More specifically, the PhD candidate will: Perform atomistic simulations (DFT, molecular dynamics, enhanced sampling).

Contribute to the development and application of machine learning approaches for molecular modelling. Analyse reaction mechanisms as well as structural and dynamical properties of materials. Participate in conferences and workshops. Contribute to the writing of scientific publications.

Requirements Mandatory requirements Master’s degree (completed or close to completion) in Chemistry, Physics, Materials Sci