Efficient Molecular Crystal Structure Prediction and Stability Assessment with AIMNet2 Neural Network Potentials

@article{Nayal2025,
  author = {Nayal, Kamal Singh and O’Connor, Dana and Zubatyuk, Roman and Anstine, Dylan M. and Yang, Yi and Tom, Rithwik and Deng, Wenda and Tang, Kehan and Marom, Noa and Isayev, Olexandr},
  title = {Efficient Molecular Crystal Structure Prediction and Stability Assessment with AIMNet2 Neural Network Potentials},
  year = {2025},
  journal = {Crystal Growth & Design},
  volume = {25},
  number = {21},
  pages = {9092--9106},
  doi = {10.1021/acs.cgd.5c01001},
  url = {http://dx.doi.org/10.1021/acs.cgd.5c01001},
  publisher = {American Chemical Society (ACS)},
  keywords = {neural network},
  researchAreas = {ml-potentials},
  highlight = {Efficient Molecular Crystal Structure Prediction and Stability Assessment with AIMNet2 Neural Network Potentials.},
  citations = {2}
}