706 citations · 1.8k across the 13 of their papers we have counts for
14 papers
Mechanical properties of single and polycrystalline solids from machine learning
Faridun N. Jalolov, Evgeny V. Podryabinkin, Artem R. Oganov +2
Calculations of elastic and mechanical characteristics of non-crystalline solids are challenging due to high computation cost of methods and low accuracy of empirical…
A machine learning potential-based generative algorithm for on-lattice crystal structure prediction
Vadim Sotskov, Alexander V. Shapeev, Evgeny V. Podryabinkin
We propose a method for crystal structure prediction based on a new structure generation algorithm and on-lattice machine learning interatomic potentials. Our algorithm generates t…
MLIP-3: Active learning on atomic environments with Moment Tensor Potentials
Evgeny Podryabinkin, Kamil Garifullin, Alexander Shapeev +1
Nowadays, academic research relies not only on sharing with the academic community the scientific results obtained by research groups while studying certain phenomena, but also on…
Accelerating first-principles estimation of thermal conductivity by machine-learning interatomic potentials: A MTP/ShengBTE solution
Bohayra Mortazavi, Evgeny P. Podryabinkin, Ivan S. Nvikovb +3
Accurate evaluation of the thermal conductivity of a material can be a challenging task from both experimental and theoretical points of view. In particular for the nanostructured…
The MLIP package: Moment Tensor Potentials with MPI and Active Learning
Ivan S. Novikov, Konstantin Gubaev, Evgeny V. Podryabinkin +1
The subject of this paper is the technology (the "how") of constructing machine-learning interatomic potentials, rather than science (the "what" and "why") of atomistic simulations…
Predicting the propensity for thermally activated events in metallic glasses via interpretable machine learning
Qi Wang, Jun Ding, Evan Ma
The elementary excitations in metallic glasses (MGs), i.e., processes that involve hopping between nearby sub-basins, underlie many unusual properties of the amorphous alloys.…