most citedAccelerating first-principles estimation of thermal conductivity by machine-learning interatomic potentials: A MTP/ShengBTE solution

224 citations · 441 across the 4 of their papers we have counts for

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physics.comp-ph2020

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…

physics.comp-ph2018

Moment tensor Potentials as a Promising Tool to Study Diffusion Processes

I. I. Novoselov, A. V. Yanilkin, A. V. Shapeev +1

A recently proposed class of machine-learning interatomic potentials --- Moment tensor potentials (MTPs) --- is investigated in this work. MTPs are able to actively select configur…