Postdoctoral Researcher (AI for Catalysis): The Institute of Catalysis and Nanotechnology (ICN2) is seeking a dedicated Postdoctoral Researcher to join its Theory and Simulation Group. This position offers an exciting opportunity to contribute to cutting-edge research in the fields of computational materials science and artificial intelligence in catalysis.
Postdoctoral Researcher (Computational Materials Science – AI for Catalysis)
Designation
Postdoctoral Researcher
Research Area
Computational Materials Science – AI for Catalysis
Location
Bellaterra (Barcelona), Spain
Eligibility/Qualification
- Education:
- Undergraduate degree in Physics, Chemistry, Materials Science, or related disciplines.
- PhD in Physics, Materials Science, Chemistry, Computer Science, or related disciplines.
- Knowledge and Professional Experience:
- Proficiency in programming languages for data analysis (particularly Python) is strongly recommended.
- Experience in High-Performance Computing.
- High Throughput Calculations experience is valued but not essential.
- Previous knowledge of Density Functional Theory (DFT) and experience with DFT codes will be highly valued.
- Understanding of chemical reactions and their computer simulations is highly valued.
- Knowledge of classical molecular dynamics, including Machine Learning Interatomic Potentials, is advantageous.
- Personal Competences:
- Strong commitment
- Attention to detail
- Ability to work with deadlines and manage conflicting priorities
- Excellent communication skills
- Ability to collaborate with highly qualified international professionals
Job Description
The Postdoctoral Researcher will work on a 36-month full employment contract, focusing on developing AI models for predicting promising catalyst candidates by integrating molecular modelling techniques, experimental databases, materials databases, and novel AI tools. The position provides opportunities for international collaboration, including a secondment at the Australian National University (ANU) for up to 12 months.
How to Apply
Interested candidates should submit their application through the ICN2 application portal following the provided guidelines and requirements.
Last Date to Apply
The deadline for applications is 26 January 2026.
Join us at the ICN2 and be part of an inspiring research environment committed to innovation and the advancement of nanoscience for societal benefits.
