@article{makingroomforaimultigpumoleculardynamics,
  title = {Making Room for AI: Multi-GPU Molecular Dynamics with Deep Potentials in GROMACS},
  author = {Luca Pennati and Andong Hu and Ivy Peng and Lukas Müllender and Stefano Markidis},
  year = {2026},
  eprint = {2604.07276},
  archivePrefix = {arXiv},
  url = {https://arxiv.org/abs/2604.07276},
}