Recent Advances in Machine Learning‐Assisted Multiscale Design of Energy Materials

B Mortazavi - Advanced Energy Materials, 2024‏ - Wiley Online Library
This review highlights recent advances in machine learning (ML)‐assisted design of energy
materials. Initially, ML algorithms were successfully applied to screen materials databases …

[HTML][HTML] Fitting to magnetic forces improves the reliability of magnetic Moment Tensor Potentials

AS Kotykhov, K Gubaev, V Sotskov, C Tantardini… - Computational Materials …, 2024‏ - Elsevier
We developed a method for fitting machine-learning interatomic potentials with magnetic
degrees of freedom, namely, magnetic Moment Tensor Potentials (mMTP). The main feature …

Efficient prediction of potential energy surface and physical properties with Kolmogorov-Arnold Networks

R Wang, H Yu, Y Zhong, H **ang - arxiv preprint arxiv:2409.03430, 2024‏ - arxiv.org
The application of machine learning methodologies for predicting properties within materials
science has garnered significant attention. Among recent advancements, Kolmogorov …

Analysis of Stability and Mechanical Properties of Al-Cr-Fe-Co-Ni-Cu HEA Based on Machine Learning

JJ Pais Pereda, KV Larionov, L Jiang… - The Journal of …, 2024‏ - ACS Publications
A machine learning (ML) interatomic potential was developed to predict the behavior of
complex high-entropy alloys (HEAs) containing Al, Cr, Fe, Co, Ni, and Cu. This ML potential …

Actively-trained magnetic Moment Tensor Potentials reproduce mechanical, dynamical, and thermal properties of paramagnetic CrN

AS Kotykhov, M Hodapp, C Tantardini… - arxiv preprint arxiv …, 2024‏ - arxiv.org
We present a protocol for automated fitting of magnetic Moment Tensor Potential explicitly
including magnetic moments in its functional form. For the fitting of this potential we use …

Structural and Magnetic Properties of Ceramic Ferrous Cofexo2x and Znfexo2x Oxide Powders

C Mosiori, FO Oketch, OO Bornvince - Available at SSRN 5078462‏ - papers.ssrn.com
Abstract We have synthesized [[EQUATION]] and [[EQUATION]] using wet chemical method
and investigated its structures, phases, particle shapes and magnetic properties. The …