no code implementations • 1 Jun 2020 • Paul Sinz, Michael W. Swift, Xavier Brumwell, Jialin Liu, Kwang Jin Kim, Yue Qi, Matthew Hirn
The dream of machine learning in materials science is for a model to learn the underlying physics of an atomic system, allowing it to move beyond interpolation of the training set to the prediction of properties that were not present in the original training data.