Enhanced learning loop framework accelerates screening of bimetallic catalysts with high oxygen reduction properties in different coordination environments
P Song, Z Jia, S Lu, Z Wang, T Peng, Z Gao… - International Journal of …, 2024 - Elsevier
In this work, we used density functional theory and machine learning (DFT-ML) to predict
and screen the first coordination environment (FCE) and second coordination environment …
and screen the first coordination environment (FCE) and second coordination environment …
Harnessing Physics-inspired Machine Learning to Design Nanocluster Catalysts for Dehydrogenating Liquid Organic Hydrogen Carriers
Using liquid organic hydrogen carriers for the trans-oceanic shipment of hydrogen requires
selective and low-cost dehydrogenation catalysts. Machine learning methods can accelerate …
selective and low-cost dehydrogenation catalysts. Machine learning methods can accelerate …