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Dataset and machine-learning potentials for LiGa(SeX3)2 solid electrolyte
Published on by Gavin Winter
Each datum of this dataset contains the DFT-computed forces and energy corresponding with each structure (coordinates and lattice). Currently, the PaiNN model can be used to run MD (with an ASE interface) through the NeuralForceField GitHub repository, which is a general framework that can be used for running MD with NN potentials.
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