48 citations · 56 across the 3 of their papers we have counts for
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physics.chem-ph2019★ 2 cited
A Multi-Resolution 3D-DenseNet for Chemical Shift Prediction in NMR Crystallography
Shuai Liu, Jie Li, Kochise C. Bennett +6
We have developed a deep learning algorithm for chemical shift prediction for atoms in molecular crystals that utilizes an atom-centered Gaussian density model for the 3D data repr…
physics.comp-ph2019
Fast Neural Network Predictions from Constrained Aerodynamics Datasets
Cristina White, Daniela Ushizima, Charbel Farhat
Incorporating computational fluid dynamics in the design process of jets, spacecraft, or gas turbine engines is often challenged by the required computational resources and simulat…