116 citations · 152 across the 7 of their papers we have counts for
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cond-mat.mtrl-sci2022★ 116 cited
AdsorbML: A Leap in Efficiency for Adsorption Energy Calculations using Generalizable Machine Learning Potentials
Janice Lan, Aini Palizhati, Muhammed Shuaibi +6
Computational catalysis is playing an increasingly significant role in the design of catalysts across a wide range of applications. A common task for many computational methods is…
cond-mat.mtrl-sci2022
Catlas: an automated framework for catalyst discovery demonstrated for direct syngas conversion
Brook Wander, Kirby Broderick, Zachary W. Ulissi
Catalyst discovery is paramount to support access to energy and key chemical feedstocks in a post fossil fuel era. Exhaustive computational searches of large material design spaces…