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Institute of Chemical Research of Catalonia

Just Landed

PhD position in AI/Machine Learning for Molecular Dynamics of GPCRs in Neuronal Membranes Institute for Advanced Chemistry of Catalonia in Spain

Degree Level

PhD

Field of study

Computer Science

Funding

Available

Deadline

Dec 6, 2026

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Country

Spain

University

Institute of Chemical Research of Catalonia

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Keywords

Computer Science
Chemistry
Biomedical Engineering
Biophysics
Deep Learning
Biology
Computational Chemistry
Molecular Dynamics
Python Programming
Neuropsychology
Statistical Mechanics
Sampling Methods
Statistics
G Protein-coupled Receptor
Physics
ML

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About this position

The Brain Signaling and Neurolipids Lab at the Institute for Advanced Chemistry of Catalonia (IQAC-CSIC) in Barcelona is recruiting a PhD student to work at the interface of molecular simulation, membrane biophysics and machine learning.

The project investigates how the lipid composition of neuronal membranes influences the behaviour of G protein-coupled receptors (GPCRs), a major receptor family involved in neuronal communication and one of the most important drug-target families in the brain. The lab studies this problem using large-scale molecular dynamics simulations, and the doctoral researcher will help develop AI- and machine-learning-based approaches for analysing, sampling and interpreting these data.

The position is embedded in a collaborative research environment with experimental partners in Europe, access to supercomputing resources and data-rich simulation workflows, and opportunities for research stays abroad and first-author publications as part of the training plan. The advert highlights close supervision and hands-on training within a multidisciplinary setting focused on computational neurochemistry and biophysical modelling.

The work is based in Barcelona at IQAC-CSIC, within a scientific environment connected to the Brain Signaling and Neurolipids Lab and its broader theoretical and computational chemistry context.

Funding details

Available

What's required

A master’s degree, or being in the final stage of completing one, in physics, mathematics, chemistry, computer science or a closely related quantitative field is required. An excellent academic record in both the bachelor’s and master’s degrees is expected. Applicants should have demonstrable knowledge of machine learning and deep learning through coursework, a master’s thesis or projects, including practical experience training models. Strong programming skills in Python and experience with PyTorch or a similar deep-learning framework are required. A solid grounding in statistics, linear algebra or statistical physics is needed. Good command of English is required. Experience applying machine learning to scientific or molecular data, such as graph neural networks, variational autoencoders, or generative/latent-space models, is considered a strong asset. No prior background in biology is required.

How to apply

Send your CV, including bachelor’s and master’s grades, a short motivation letter, and the contact details of two referees to [email protected]. Use the email subject line “PhD ML position – Brain Signaling & Neurolipids Lab”. Early expressions of interest are strongly encouraged.

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