``Electron-Passing Neural Networks for Atomic Charge Prediction in Systems with Arbitrary Molecular Charge,'' D. P. Metcalf, A. Jiang, S. A. Spronk, D. L. Cheney, and C. D. Sherrill, J. Chem Inf. Model. 61, 115 (2021)
(doi: 10.1021/acs.jcim.0c01071)
``AP-Net: An Atomic-Pairwise Neural Network for Smooth and Transferable Interaction Potentials,'' Z. L. Glick, D. P. Metcalf, A. Koutsoukas, S. A. Spronk, D. L. Cheney, and C. D. Sherrill, J. Chem. Phys. 153, 044112 (2020)
(doi: 10.1063/5.0011521)
``Approaches for Machine Learning Intermolecular Interaction Energies and Application to Energy Components From Symmetry Adapted Perturbation Theory,'' D. P. Metcalf, A. Koutsoukas, S. A. Spronk, B. L. Claus, D. A. Loughney, S. R. Johnson, D. L. Cheney, and C. D. Sherrill, J. Chem. Phys. 152, 074103 (2020)
(doi: 10.1063/1.5142636)
|