Postdoctoral position on deep learning applied to molecular simulations

Prof. Gianni De Fabritiis, ICREA research professor (, is looking to recruit a postdoctoral scientist to work on next generation molecular simulations and neural network potentials with the goal of substantially improve molecular mechanics applications.

This position involves having a key role in the development of OpenMM (

The candidate will contribute together with other PhDs fellows and international collaborators from academia and industry to the research lines of the Computational Science Laboratory (

What you will do.

Depending on your skillset, you are expected to contribute to the machine learning of neural network representations for molecular potentials, improve speed in collaboration with OpenMM and Nvidia, enhance capabilities in terms of representing longer range physical terms, charges, etc.


The laboratory is located in the Barcelona Biomedical Research Park (PRBB) which, with a privileged location on the shoreline of the Mediterranean sea, constitutes one of the most exciting interdisciplinary research centres in Southern Europe with more than 1000 scientists in the building alone. The PRBB is more than just a research institution, it is a unique creative space that connects science and diversity.

By becoming a member of its research community, the candidate will have access to conferences, networking opportunities and training events.

The Lab is part of Universitat Pompeu Fabra a University dedicated to promoting the role of women in science, and, therefore, explicitly invites women to apply.


Apply here

Deadline: Until filled – expected starting date anytime by the end of 2021



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