1 year position on ML-FF for molecular Dynamics for Gas-phase fragmentation processes, UAM, Madrid, Spain (Deadline: 25.11.2025)

We are seeking a candidate for a 12-month position to join our group in the Department of Chemistry at the Universidad Autónoma de Madrid (UAM), starting on 1 January 2026. The gross annual salary is 24000 euros (2000 €/month). The project is funded by the Comunidad de Madrid.  

Position description
The selected candidate will contribute to the development and application of advanced molecular simulation methodologies. The main tasks include:

Study, implementation and development of ML-based force fields (Machine Learning Force Fields, ML-FF) to simulate gas-phase fragmentation processes via molecular dynamics.
Design and maintain a project-focused results database (schema, metadata, upload/retrieval scripts) to organize simulation outputs for analysis, benchmarking, and reproducibility.
Document workflows and contribute to publications and dissemination activities within the project.

Contract details
Duration: 12 months (from January 1, 2026 to December 31, 2026)
Salary: 24.000 gross per year
Workplace: Chemistry Department. Universidad Autónoma de Madrid. (Madrid, Spain)
Equal opportunities: UAM is an equal opportunity employer. Applications from all qualified candidates are encouraged, regardless of gender, nationality, or background.

Desired qualifications
Degree (BSc, MSc, or PhD) in Physics, Chemistry, Computer Sicence or related disciplines.
Background in molecular dynamics and/or machine learning applied to atomistic modeling.
Experience with scientific programming (e.g., Python, Fortran)
Good communication, teamwork and problem-solving abilities.

Additional valued skills
Experience with ML-based interatomic potentials (e.g. GAP, NequIP, MACE, DeePMD, ANI, SNAP)
Familiarity with MD simulation packages (e.g. LAMMPS, GROMACS).
Basic knowledge of data management (version control, metadata, FAIR principles).

Application procedure
Interested candidates should send the following documents to ana.somer@uam.es :

Curriculum Vitae
Short motivation letter
Contact details of one or two references (optional)

For any questions contact ana.somer@uam.es.