239 citations · 1.8k across the 99 of their papers we have counts for
93 papers
Accuracy and Limitations of Machine-Learned Interatomic Potentials for Magnetic Systems: A Case Study on Fe-Cr-C
E. O. Khazieva, N. M. Chtchelkatchev, R. E. Ryltsev
Machine-learned interatomic potentials (MLIPs) have become the gold standard for atomistic simulations, yet their extension to magnetic materials remains challenging because spin f…
Time-dependent exchange creates the time-frustrated state of matter
V. E. Valiulin, N. M. Chtchelkatchev, A. V. Mikheyenkov +1
Magnetic systems governed by exchange interactions between magnetic moments harbor frustration that leads to ground state degeneracy and results in the new topological state often…
The resistance of quantum entanglement to temperature in the Kugel-Khomskii model
V. E. Valiulin, A. V. Mikheyenkov, N. M. Chtchelkatchev +1
The Kugel--Khomskii model with entangled spin and orbital degrees of freedom is a good testing ground for many important features in quantum information processing, such as robust…
Deep machine learning potentials for multicomponent metallic melts: development, predictability and compositional transferability
R. E. Ryltsev, N. M. Chtchelkatchev
The use of machine learning interatomic potentials (MLIPs) in simulations of materials is a state-of-the-art approach, which allows achieving nearly \textit{ab initio} accuracy wit…
Quantum entanglement, local indicators and effect of external fields in the Kugel-Khomskii model
V. E. Valiulin, A. V. Mikheyenkov, N. M. Chtchelkatchev +1
Using the exact diagonalization technique, we determine the energy spectrum and wave functions for finite chains described by the two-spin (Kugel--Khomskii) model with different ty…
Ab initio based description of the unusual temperature increase of the electric field gradient at Ti sites in rutile TiO2
A. V. Nikolaev, N. M. Chtchelkatchev, A. V. Bibikov +2
Combining a precise ab initio electron band structure calculation of the TiO2 rutile structure with the temperature evolution of the Ti mean-square displacements, we reproduce a pu…