Context And Mission

The Electronic and Atomic Protein Modelling (EAPM) Lab at BSC has consolidated experience in developing molecular libraries and applying them in the discovery of novel drugs. This includes massive deployment of docking and Monte Carlo simulations using the supercomputer resources available at BSC. Also, we have developed novel active learning cycles combining artificial intelligence algorithms, mostly deep surrogate methods and generative modelling, with molecular modelling.
The EAPM Lab at BSC is looking for a Research Modeller/Developer, with experience in molecular modelling and artificial intelligence, to contribute to the AI Factories initiative at the Barcelona Supercomputing Center.
The AI Factory is a large-scale initiative led by the Barcelona Supercomputing Center – Centro Nacional de Supercomputación (BSC-CNS), designed to position Europe at the forefront of integral AI development, and deployment. With a multi-stakeholder approach, the AI Factory aims to lower the barriers to AI innovation by offering access to state-of-the-art AI computing infrastructure, advanced training programs, and a dynamic innovation ecosystem. The initiative supports start-ups, SMEs, corporates, academia, and public institutions, providing tailored support to boost AI capabilities and promote responsible and impactful AI adoption.
The successful candidate will work in a highly sophisticated HPC environment, have access to state-of-the-art systems and computational infrastructures, and establish collaborations with experts and companies in different areas at the local and international levels.
This project is funded by the European Union’s Recovery and Resilience Facility,



in accordance with Council Regulation (EU) 2020/2094 of 14 December 2020, and regulated by Regulation (EU) 2021/241 of the European Parliament and of the Council of 12 February 2021, in the context of the “BSC AI Factory” project.
The BSC AI Factory project has received funding from the European High-Performance Computing Joint Undertaking (JU) under grant agreement No . The JU receives support from the European Union’s Horizon Europe Programme and Spain, Portugal, and Türkiye.
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This project is funded by the European Union’s Recovery and Resilience Facility, in accordance with Council Regulation (EU) 2020/2094 of 14 December 2020, and regulated by Regulation (EU) 2021/241 of the European Parliament and of the Council of 12 February 2021, in the context of the “BSC AI Factory” project.

This project has received funding from the European High-Performance Computing Joint Undertaking (JU) under grant agreement No and Spain, Portugal, Romania and Türkiye. The JU receives support from the European Union’s Horizon Europe Programme. It is also co-funded by the Spanish Ministry for Digital Transformation and the Civil Service and counts with the support of the Government of Catalonia.

Key Duties

- Assisting AI Factory users in implementing BSC-created resources, models and data.




- Supporting start-ups, SMEs, corporates, public institutions, and academia in developing early-stage applications of AI in real-world scenarios.
- Planning, design and implementation of molecular screening to assess solution capabilities and to determine relevant development options to deliver impactful outcomes.
- Technical English writing of project deliverables.
- Interacting with and advising external stakeholders’ projects that use BSC created AI infrastructures.
- Creating and delivering talks about our molecular screening applications in top tier technical forums, as well as in less technical dissemination settings.
- Contribute to other BSC AI Factory tasks related to the contribution to the project from the Life Sciences Department, working with the rest of the team.

Requirements

- Education
- PhD degree in Biotechnology or related field.
- Essential Knowledge and Professional Experience
- Two years of experience in molecular modelling related tasks (or having performed a PhD)
- Demonstrated participation in international projects, preferably European projects and international collaboration

- Essential Knowledge and Professional Experience

- Strong understanding of technology life cycles, especially early-stage development and prototyping

- Additional Knowledge and Professional Experience

- Ability to design and execute technical presentations and courses on application of molecular screening technologies to real world applications
- Programming skills in Python
- Familiarity with HPC environments

- Competences

- Fluency in spoken and written English (required), Spanish and Catalan

📌 Modeller for Molecular Screening Applications (Barcelona)
🏢 Barcelona Supercomputing Center
📍 Barcelona