Job Reference
515_25_LS_EAPM_RE2
Position
AI Factories Modeller for Molecular Screening Applications (RE2)
Closing Date
Sunday, 17 August, 2025
Reference: 515_25_LS_EAPM_RE2
Job title: AI Factories Modeller for Molecular Screening Applications (RE2)
About BSC
The Barcelona Supercomputing Center - Centro Nacional de Supercomputación (BSC-CNS) is the leading supercomputing center in Spain. It houses MareNostrum, one of the most powerful supercomputers in Europe, was a founding and hosting member of the former European HPC infrastructure PRACE (Partnership for Advanced Computing in Europe), and is now hosting entity for EuroHPC JU, the Joint Undertaking that leads large-scale investments and HPC provision in Europe. The mission of BSC is to research, develop and manage information technologies in order to facilitate scientific progress. BSC combines HPC service provision and R&D into both computer and computational science (life, earth and engineering sciences) under one roof, and currently has over 1000 staff from 60 countries.
Look at the BSC experience:
BSC-CNS YouTube Channel
Let's stay connected with BSC Folks!
We are particularly interested for this role in the strengths and lived experiences of women and underrepresented groups to help us avoid perpetuating biases and oversights in science and IT research. In instances of equal merit, the incorporation of the under-represented sex will be favoured.
We promote Equity, Diversity and Inclusion, fostering an environment where each and every one of us is appreciated for who we are, regardless of our differences.
If you consider that you do not meet all the requirements, we encourage you to continue applying for the job offer. We value diversity of experiences and skills, and you could bring unique perspectives to our team.
Look at the BSC experience:
BSC-CNS YouTube Channel
Let's stay connected with BSC Folks!
We are particularly interested for this role in the strengths and lived experiences of women and underrepresented groups to help us avoid perpetuating biases and oversights in science and IT research. In instances of equal merit, the incorporation of the under-represented sex will be favoured.
We promote Equity, Diversity and Inclusion, fostering an environment where each and every one of us is appreciated for who we are, regardless of our differences.
If you consider that you do not meet all the requirements, we encourage you to continue applying for the job offer. We value diversity of experiences and skills, and you could bring unique perspectives to our team.
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 global 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 101234399. The JU receives support from the European Union’s Horizon Europe Programme and Spain, Portugal, and Türkiye.
For more information, please check: https://www.bsc.es/join-us/excellence-career-opportunities/bsc-ai-factory
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 global 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 101234399. The JU receives support from the European Union’s Horizon Europe Programme and Spain, Portugal, and Türkiye.
For more information, please check: https://www.bsc.es/join-us/excellence-career-opportunities/bsc-ai-factory
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
- Master's degree in Biotechnology or related field, PhD will be a plus
- 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, as well as in other European languages will also be highly valued.
Conditions
- The position will be located at BSC within the Life Sciences Department
- We offer a full-time contract (37.5h/week), a good working environment, a highly stimulating environment with state-of-the-art infrastructure, flexible working hours, extensive training plan, restaurant tickets, private health insurance, support to the relocation procedures
- Duration: Temporary - 3 years
- Holidays: 23 paid vacation days plus 24th and 31st of December per our collective agreement
- Salary: we offer a competitive salary commensurate with the qualifications and experience of the candidate and according to the cost of living in Barcelona
- Starting date: 11/09/2025
Applications procedure and process
All applications must be submitted via the BSC website and contain:
The selection will be carried out through a competitive examination system ("Concurso-Oposición"). The recruitment process consists of two phases:
- A full CV in English including contact details
- A cover/motivation letter with a statement of interest in English, clearly specifying for which specific area and topics the applicant wishes to be considered. Additionally, two references for further contacts must be included. Applications without this document will not be considered.
Development of the recruitment process
The selection will be carried out through a competitive examination system ("Concurso-Oposición"). The recruitment process consists of two phases:
- Curriculum Analysis: Evaluation of previous experience and/or scientific history, degree, training, and other professional information relevant to the position. - 40 points
- Interview phase: The highest-rated candidates at the curriculum level will be invited to the interview phase, conducted by the corresponding department and Human Resources. In this phase, technical competencies, knowledge, skills, and professional experience related to the position, as well as the required personal competencies, will be evaluated. - 60 points. A minimum of 30 points out of 60 must be obtained to be eligible for the position.
The recruitment panel will be composed of at least three people, ensuring at least 25% representation of women.
In accordance with OTM-R principles, a gender-balanced recruitment panel is formed for each vacancy at the beginning of the process. After reviewing the content of the applications, the panel will begin the interviews, with at least one technical and one administrative interview. At a minimum, a personality questionnaire as well as a technical exercise will be conducted during the process.
The panel will make a final decision, and all individuals who participated in the interview phase will receive feedback with details on the acceptance or rejection of their profile.
At BSC, we seek continuous improvement in our recruitment processes. For any suggestions or comments/complaints about our recruitment processes, please contact recruitment [at] bsc [dot] es.
For more information, please follow this link.
Deadline
The vacancy will remain open until a suitable candidate has been hired. Applications will be regularly reviewed and potential candidates will be contacted.
OTM-R principles for selection processes
BSC-CNS is committed to the principles of the Code of Conduct for the Recruitment of Researchers of the European Commission and the Open, Transparent and Merit-based Recruitment principles (OTM-R). This is applied for any potential candidate in all our processes, for example by creating gender-balanced recruitment panels and recognizing career breaks etc.
BSC-CNS is an equal opportunity employer committed to diversity and inclusion. We are pleased to consider all qualified applicants for employment without regard to race, color, religion, sex, sexual orientation, gender identity, national origin, age, disability or any other basis protected by applicable state or local law.
For more information follow this link
BSC-CNS is an equal opportunity employer committed to diversity and inclusion. We are pleased to consider all qualified applicants for employment without regard to race, color, religion, sex, sexual orientation, gender identity, national origin, age, disability or any other basis protected by applicable state or local law.
For more information follow this link