14 citations · 16 across the 2 of their papers we have counts for
2 papers
cond-mat.mtrl-sci2024★ 2 cited
Unleashing the power of novel conditional generative approaches for new materials discovery
Lev Novitskiy, Vladimir Lazarev, Mikhail Tiutiulnikov +6
For a very long time, computational approaches to the design of new materials have relied on an iterative process of finding a candidate material and modeling its properties. AI ha…
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…