Replication Data for: Generating Minimal Training Sets for Machine Learned Po...

Data and scripts for replicating results and the investigation presented in the paper. This includes the dft parameters for generating training data, all training and data...

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Replication Data for: Generating Minimal Training Sets for Machine Learned Potentials

Data and scripts for replicating results and the investigation presented in the paper. This includes the dft parameters for generating training data, all training and data selection scripts for the ne

DataCite Commons2025-08-06 更新00

Electrostatic interactions in atomistic and machine-learned potentials for po...

Long-range electrostatic interactions critically affect polar materials. However, state-of-the-art atomistic potentials, such as neural networks or Gaussian...

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