The Institute of Chemical Research of Catalonia (ICIQ) is seeking a Postdoctoral Researcher to work in Prof. Núria López’s group. This position will be funded by project 101306664-AIM, “AI-Multiscale Integration For Waste-To-Value Digital Twins”, European Innovation Council and SMEs Executive Agency, HORIZON-EIC-2025-PATHFINDERCHALLENGES-01-04
ICIQ is one of the world’s internationally recognized leading institutions in the field of chemistry committed to solving major social and economic challenges by conducting top quality research in three main areas: Sustainable Catalysis, Renewable Energy and Health. The institute also aims at training the future generation of scientists by offering high-quality educational programs to Master, Ph. D. students and postdoctoral researchers (full details on http://www.iciq.org/).

Project Description:
ICIQ is looking for a postdoctoral researcher in the group of Prof. Núria López. The candidate will be developing hierarchical DT technologies for the design of practical waste-to-value solutions based on fundamental chemical and physical principles.





Responsibilities
• Developing new software for the fine-tuning of Machine Learning Interatomic Potentials (MLPIs) and writing code.

• Running the corresponding simulations and analyzing their results.

• Writing documentation, reports and articles and present results at scientific events.

Requirements
• Ph. D. in Chemistry or Physics

• Proven background in Computational Modelling, Molecular Dynamics, Python, Monte Carlo, QM, DFT and ab initio techniques.

• Fluent in English (C1 level minimum).

Valued qualities and experience:
• Excellent coding skills.

• Sound experience in MLPIs.

We Offer
• A full-time contract for 3 years.

• Incorporation: November 2026

• An international and dynamic environment within a multidisciplinary team

• Annual salary split into 12 monthly payments.

• Remuneration aligned with the company’s salary policy, PIIP2 level based on the candidate’s qualifi

📌 Postdoctoral Researcher (Tarragona)
🏢 ICIQ
📍 Tarragona