Chemistrynpj Computational Materials
AdsorbML: a leap in efficiency for adsorption energy calculations using generalizable machine learning potentials
J. Lan, A. Palizhati, et al.
Discover AdsorbML, a groundbreaking machine learning algorithm developed by Janice Lan, Aini Palizhati, Muhammed Shuaibi, Brandon M. Wood, and others, which drastically enhances the speed and accuracy of calculating adsorption energies for adsorbate-catalyst interactions. With a remarkable 87.36% success rate and a speed 2000 times faster than traditional methods, this research is set to revolutionize the field.
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