6 citations · 10 across the 4 of their papers we have counts for
4 papers
Acceleration of crystal structure relaxation with Deep Reinforcement Learning
Elena Trukhan, Efim Mazhnik, Artem R. Oganov
We introduce a Deep Reinforcement Learning (DRL) model for the structure relaxation of crystal materials and compare different types of neural network architectures and reinforceme…
Stable compounds in the CaO-Al2O3 system at high pressures
Ekaterina I. Marchenko, Artem R. Oganov, Efim A. Mazhnik +1
Using evolutionary crystal structure prediction algorithm USPEX, we showed that at pressures of the Earth's lower mantle CaAl2O4 is the only stable calcium aluminate. At pressures…
Comment on "Pentadiamond: A Hard Carbon Allotrope of a Pentagonal Network of sp2 and sp3 atoms"
V. V. Brazhkin, M. V. Kondrin, A. G. Kvashnin +2
In a recent Letter [1] Y. Fujii et al. proposed a new carbon allotrope and claimed its extremely high Young's and shear moduli of 1691 and 1113 GPa, respectively, surpassing those…
Fast general two- and three-body interatomic potential
Sergey Pozdnyakov, Artem R. Oganov, Efim Mazhnik +2
We introduce a new class of machine learning interatomic potentials - fast General Two- and Three-body Potential (GTTP), which is as fast as conventional empirical potentials and r…