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fig1

From:  Machine learning-accelerated transition state prediction for strain-engineered high-entropy alloy catalysts
Machine learning-accelerated transition state prediction for strain-engineered high-entropy alloy catalysts

Figure 1. Predicted reaction pathways of HEAs under unstrained state and biaxial strain conditions using the fine-tuned EquiformerV2 model. HEA: High-entropy alloy; OC20: Open Catalyst 2020; NEB: Nudged Elastic Band; MAE: mean absolute error.

Journal of Materials Informatics
ISSN 2770-372X (Online)
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