Towards the computational experiment
Abstract
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.
- Publication:
-
arXiv e-prints
- Pub Date:
- May 2019
- DOI:
- 10.48550/arXiv.1905.11715
- arXiv:
- arXiv:1905.11715
- Bibcode:
- 2019arXiv190511715C
- Keywords:
-
- Condensed Matter - Materials Science;
- Physics - Computational Physics
- E-Print:
- Arkhimedes 3, 21 (2018)