Quantum neural networks force fields generation

  title={Quantum neural networks force fields generation},
  author={Oriel Kiss and Francesco Tacchino and Sofia Vallecorsa and Ivano Tavernelli},
Accurate molecular force fields are of paramount importance for the efficient implementation of molecular dynamics techniques at large scales. In the last decade, machine learning methods have demonstrated impressive performances in predicting accurate values for energy and forces when trained on finite size ensembles generated with ab initio techniques. At the same time, quantum computers have recently started to offer new viable computational paradigms to tackle such problems. On the one hand… 

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