Dataset: Enabling Field-Induced Phase Transitions and Hysteresis HfO2 via Machine Learning Molecular Dynamics with Born Effective Charges

Change the model name from HfO2_finetuned_MCAE.model to HfO2_finetuned_MACE.model.

Dataset: Enabling Field-Induced Phase Transitions and Hysteresis HfO2 via Machine Learning Molecular Dynamics with Born Effective Charges

Add the structures calculated file, the trajectories data from the hysteresis loop simulation, and the HfO2 structures with BECs.

Dataset: Enabling Field-Induced Phase Transitions and Hysteresis HfO2 via Machine Learning Molecular Dynamics with Born Effective Charges

Upload database

Upload the structural database for HfO2.