706 citations · 1.8k across the 13 of their papers we have counts for
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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…
Accelerating high-throughput searches for new alloys with active learning of interatomic potentials
Konstantin Gubaev, Evgeny V. Podryabinkin, Gus L. W. Hart +1
We propose an approach to materials prediction that uses a machine-learning interatomic potential to approximate quantum-mechanical energies and an active learning algorithm for th…
Accelerating crystal structure prediction by machine-learning interatomic potentials with active learning
Evgeny V. Podryabinkin, Evgeny V. Tikhonov, Alexander V. Shapeev +1
In this letter we propose a new methodology for crystal structure prediction, which is based on the evolutionary algorithm USPEX and the machine-learning interatomic potentials act…