Postdoctoral position on deep learning applied to molecular simulations at the Computational...

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.

Prof. Gianni De Fabritiis, ICREA research professor (https://es.linkedin.com/in/gdefabritiis ),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 (http://openmm.org ).

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 (https://www.compscience.org/ ).

Relevant publications:

TorchMD: A deep learning framework for molecular simulations, S Doerr, M Majewski, A Pérez, A Krämer, C Clementi, F Noe, T Giorgino, … Journal of chemical theory and computation 17 (4), 2355-2363 Coarse graining molecular dynamics with graph neural networks BE Husic, NE Charron, D Lemm, J Wang, A Pérez, M Majewski, A Krämer, ...The Journal of Chemical Physics 153 (19), 194101