Datasets

Visit this page to access datasets generated in our lab.

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 QM Datasets for Machine Learning Potentials:

• Avula et al. J. Phys. Chem. Lett. 2023: Understanding the Anomalous Diffusion of Water in Aqueous Electrolytes Using Machine Learned Potentials.

  • Link to the article 

  • Link to the dataset 

 DP models and Input files :

• Debendra et al. J. Chem. Phys. 2025: Slowly quenched, high pressure glassy B2O3 at DFT accuracy.

  • Link to the article​

  • Link to the DP models and input files

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