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Sustainable Electronic Structure Software for Everyone, Everywhere

Electronic Structure - Methods

Publication Details

  • Authors: L. Gagliardi
  • Publication Number: 459
  • Year: 2023
  • Journal: J. Chem. Theory Comput.

Full Citation

Z. Zheng, A. H. Alawadhi, S. Chheda, S. E. Neumann, N. Rampal, S. Liu, Ha L. Nguyen, Y. Lin, Z. Rong, J. I. Siepmann, L. Gagliardi, A. Anandkumar, C. Borgs, J. T. Chayes, and O. M. Yaghi, Shaping the Water-Harvesting Behavior of Metal–Organic Frameworks Aided by Fine-Tuned GPT Models, J. Am. Chem. Soc., 2023, 145, 28284–28295, DOI: 10.1021/jacs.3c12086