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@ARTICLE{Rittig:1038143,
      author       = {Rittig, Jan G. and Mitsos, Alexander},
      title        = {{T}hermodynamics-consistent graph neural networks},
      journal      = {Chemical science},
      volume       = {15},
      number       = {44},
      issn         = {2041-6520},
      address      = {Cambridge},
      publisher    = {RSC},
      reportid     = {FZJ-2025-01190},
      pages        = {18504 - 18512},
      year         = {2024},
      cin          = {ICE-1},
      ddc          = {540},
      cid          = {I:(DE-Juel1)ICE-1-20170217},
      pnm          = {899 - ohne Topic (POF4-899)},
      pid          = {G:(DE-HGF)POF4-899},
      typ          = {PUB:(DE-HGF)16},
      pubmed       = {39430937},
      UT           = {WOS:001333143100001},
      doi          = {10.1039/D4SC04554H},
      url          = {https://juser.fz-juelich.de/record/1038143},
}