From Single Metals to High‐Entropy Alloys: How Machine Learning Accelerates the Development of Metal Electrocatalysts

X Fan, L Chen, D Huang, Y Tian… - Advanced Functional …, 2024 - Wiley Online Library
The rapid advancement of high‐performance computing and artificial intelligence
technology has opened up novel avenues for the development of various metal …

Adsorbate-Dependent Electronic Structure Descriptors for Machine Learning-Driven Binding Energy Predictions in Diverse Single Atom Alloys: A Reductionist …

J Shirani, JJ Valdes, AB Tchagang… - The Journal of Physical …, 2024 - ACS Publications
A long-standing challenge in the design of single atom alloys (SAAs), for catalytic
applications, is the determination of a feature space that maximally correlates to molecular …