Chemistry | Combustion Science Dynamics studies for the multi-well and multi-channel reaction of OH with CH on a full-dimensional global potential energy surface. February 20, 2024
Chemistry | Machine Learning | Materials Science Gas adsorption meets deep learning: voxelizing the potential energy surface of metal-organic frameworks. January 26, 2024
Chemistry Parametrically Managed Activation Function for Fitting a Neural Network Potential with Physical Behavior Enforced by a Low-Dimensional Potential. June 12, 2023
Chemistry | Materials Science | Molecular Modeling DP Compress: A Model Compression Scheme for Generating Efficient Deep Potential Models. August 4, 2022
Chemistry | Quantum dynamics Efficient prediction for high precision CO-N potential energy surface by stacking ensemble DNN. November 17, 2021