@article{gradientbasedgrandcanonicaloptimizatione,
  title = {Gradient-based grand canonical optimization enabled by graph neural networks with fractional atomic existence},
  author = {Mads-Peter Verner Christiansen and Bjørk Hammer},
  year = {2025},
  eprint = {2507.19438},
  archivePrefix = {arXiv},
  url = {https://arxiv.org/abs/2507.19438},
}