7 citations · 7 across the 3 of their papers we have counts for
3 papers
Data-driven prediction of structure of metal-organic frameworks
Elizaveta Yakovenko, Iurii Nevolin, Anatoliy Chasovskikh +2
Crystal structure prediction (CSP) has proven to be a highly effective route for discovering new materials. Substantial advancements have been made in CSP of inorganic and molecula…
Artificial bees collect diverse conformers of small organic molecules
Anastasiia Smirnova, Maxim Yablonskiy, Ekaterina Marchenko +3
The conformational mobility of organic molecules defined as a variability of practically accessible conformers plays a critical role in determining electronic, chemical, and physic…
Coarse-grained crystal graph neural networks for reticular materials design
Vadim Korolev, Artem Mitrofanov
Reticular materials, including metal-organic frameworks and covalent organic frameworks, combine relative ease of synthesis and an impressive range of applications in various field…