most citedComputational catalyst discovery: Active classification through myopic multiscale sampling

9 citations · 9 across the 2 of their papers we have counts for

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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…