Biophysics | Chemistry | Computational Biology Developing an Implicit Solvation Machine Learning Model for Molecular Simulations of Ionic Media. December 20, 2023
Chemistry Parametrically Managed Activation Function for Fitting a Neural Network Potential with Physical Behavior Enforced by a Low-Dimensional Potential. June 12, 2023
Engineering | Materials Science High-Accuracy Neural Network Interatomic Potential for Silicon Nitride. April 28, 2023
Chemistry | Energy Storage | Materials Science High-Dimensional Neural Network Potential for Liquid Electrolyte Simulations. September 26, 2022
Materials Science | Physics Deep potential for a face-centered cubic Cu system at finite temperatures. August 4, 2022
Chemistry | Computational Science ANI-1: an extensible neural network potential with DFT accuracy at force field computational cost. January 12, 2019