most citedBoosting Heterogeneous Catalyst Discovery by Structurally Constrained Deep Learning Models

14 citations · 14 across the 1 of their papers we have counts for

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1 paper

cond-mat.mtrl-sci2022★ 14 cited

Boosting Heterogeneous Catalyst Discovery by Structurally Constrained Deep Learning Models

Alexey N. Korovin, Innokentiy S. Humonen, Artem I. Samtsevich +4

The discovery of new catalysts is one of the significant topics of computational chemistry as it has the potential to accelerate the adoption of renewable energy sources. Recently…