Corpus ID: 167217437

Towards the computational experiment

  title={Towards the computational experiment},
  author={Miguel A. Caro},
  journal={arXiv: Materials Science},
  • M. Caro
  • Published 28 May 2019
  • Materials Science, Physics
  • arXiv: Materials Science
We give a brief account of the current limitations and possibilities in the field of computational simulation of materials. We then focus on the effect that the emergence of machine learning interatomic potentials is having on the field and how it will affect its evolution in the near future. 

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