2 citations · 2 across the 1 of their papers we have counts for
2 papers
physics.chem-ph2018
Compressing physical properties of atomic species for improving predictive chemistry
John E. Herr, Kevin Koh, Kun Yao +1
The answers to many unsolved problems lie in the intractable chemical space of molecules and materials. Machine learning techniques are rapidly growing in popularity as a way to co…
physics.chem-ph2017★ 2 cited
The TensorMol-0.1 Model Chemistry: a Neural Network Augmented with Long-Range Physics
Kun Yao, John E. Herr, David W. Toth +2
Traditional force-fields cannot model chemical reactivity, and suffer from low generality without re-fitting. Neural network potentials promise to address these problems, offering…