41 citations · 81 across the 5 of their papers we have counts for
5 papers
Cluster Generation via Deep Energy-Based Model
A. Yu. Artsukevich, S. V. Lepeshkin
We present a new approach for the generation of stable structures of nanoclusters using deep learning methods. Our method consists in constructing an artificial potential energy su…
Unusual chemistry of the C-H-N-O system under pressure and implications for giant planets
Anastasia S. Naumova, Sergey V. Lepeshkin, Pavel V. Bushlanov +1
C-H-N-O system is central for organic chemistry and biochemistry, and plays a major role in planetary science (dominating the composition of "ice giants" Uranus and Neptune). The i…
Hydrocarbons under pressure: phase diagrams and surprising new compounds in the C-H system
Anastasia S. Naumova, Sergey V. Lepeshkin, Artem R. Oganov
Understanding the high-pressure behavior of C-H system is of great importance due to its key role in organic, bio-, petroleum and planetary chemistry. We have performed a systemati…
Electron and phonon properties of noncentrosymmetric RhGe from ab initio calculations
Maria Magnitskaya, Nikolay Chtchelkatchev, Anatoly Tsvyashchenko +4
Band structure, Fermi surface, and phonon dispersions of noncentrosymmetric B20-type RhGe are calculated ab initio for the first time and their evolution with increasing pressure i…
Electron correlations and silicon nanocluster energetics
N. L. Matsko, Yu. A. Uspenskii, E. V. Tikhonov +2
The first-principle prediction of nanocluster stable structure is often hampered by the existence of many isomer configurations with energies close to the ground state. This fact a…