79 citations · 164 across the 3 of their papers we have counts for
3 papers
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…
Raman spectroscopy and X-ray diffraction of sp3-CaCO3 at lower mantle pressures
Sergey S. Lobanov, Xiao Dong, Naira S. Martirosyan +8
The exceptional ability of carbon to form sp2 and sp3 bonding states leads to a great structural and chemical diversity of carbon-bearing phases at non-ambient conditions. Here we…
Computational Search for Novel Hard Chromium-Based Materials
Alexander G. Kvashnin, Artem R. Oganov, Artem I. Samtsevich +1
Nitrides, carbides and borides of transition metals are an attractive class of hard materials. Our recent preliminary explorations of the binary chemical compounds indicated that c…