Model for halide perovskite PBE bandgap

• Description: This is a benchmark to evaluate how accurately an AI model can predict the decomposition energy at the accuracy level of PBE (hybrid DFT functional) using the Halide perovskite dataset of Prof. Arun Mannodi at Purdue. Here we use mean absolute error (MAE) to compare models with respect to DFT (PBE) accuracy. External links: https://github.com/mannodiarun
  

Reference(s): https://www.nature.com/articles/s41524-021-00650-1, https://doi.org/10.1039/D1EE02971A

Model benchmarks

Model name	Dataset	MAE	Team name	Dataset size	Date submitted	Notes
alignn_model	halide_peroskites	0.1223	ALIGNN	229	01-14-2023	CSV, JSON, run.sh, Info