John Parkhill

1. The TensorMol-0.1 Model Chemistry: a Neural Network Augmented with Long-Range Physics
   2017/11/17 by Kun Yao, Yao, Kun, John E. Herr +7 · 8 citations
   Biochemistry, Genetics and Molecular Biology · Chemistry · Materials Science · #Chemical Physics (physics.chem-ph) #FOS: Physical sciences #Machine Learning in Materials Science #Protein Structure and Dynamics #Various Chemistry Research Topics
2. Advances in molecular quantum chemistry contained in the Q-Chem 4 program package
   2014/09/03 by Yihan Shao, Zhengting Gan, Evgeny Epifanovsky +97 · 3 citations
   Physics and Astronomy · Chemical Engineering · #Advanced Chemical Physics Studies #Spectroscopy and Quantum Chemical Studies #Catalysis and Oxidation Reactions
3. Bond Energies from a Diatomics-in-Molecules Neural Network
   2017/03/25 by Kun Yao, John Herr, Yao, Kun +5 · 1 voice
   Physics and Astronomy · #physics.chem-ph
4. The Kinetic Energy of Hydrocarbons as a Function of Electron Density and Convolutional Neural Networks
   2015/08/28 by Kun Yao, John Parkhill, Yao, Kun +1 · 1 voice
   Physics and Astronomy · #Chemical Physics (physics.chem-ph) #Computational Physics (physics.comp-ph) #FOS: Physical sciences #physics.chem-ph #physics.comp-ph