December 14, 2018Open Access

Machine Learning a General-Purpose Interatomic Potential for Silicon

ABAlbert P. BartókUniversity of Warwick JKJames R. KermodeUniversity of Warwick NBNoam BernsteinUnited States Naval Research Laboratory

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Abstract

A machine-learning based approach to computing the energy and forces of silicon atoms circumvents the need for complex electronic structure calculations, offering an efficient method for predicting material properties that can be extended to other materials.

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Bartók et al. (Fri,) studied this question.

synapsesocial.com/papers/69da0ca39a6164e50fa3db52 https://doi.org/https://doi.org/10.1103/physrevx.8.041048

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