Postdoc in GPU algorithms for molecular dynamics with GROMACS

Brief description of the position:
We are looking for an HPC expert to contribute to one or multiple projects related to the GROMACS molecular simulation software. As the computational power increases, new algorithms are needed to make efficient use of the hardware. This work will be related to collaborative, international projects potentially including fast multipole electrostatics, fine-grained message-driven algorithms and machine learning potentials. All projects mainly target GPUs.


  • Experience with GPU programming.
  • Experience with parallel programming, including MPI and OpenMP.

Link to the official announcement:

Application deadline:
8 January 2024

Contact information:
Berk Hess, hess at