Analysis and evaluation of machine learning applications in materials design and discovery
M Golmohammadi, M Aryanpour - Materials Today Communications, 2023 - Elsevier
Abstract Machine Learning (ML) appears to have become the main and foremost approach
to both tackle the hurdles and exploit the opportunities of The Information Age. We present …
to both tackle the hurdles and exploit the opportunities of The Information Age. We present …
[HTML][HTML] Predicting the Hall-Petch slope of magnesium alloys by machine learning
B Guan, C Chen, Y Xin, J Xu, B Feng, X Huang… - Journal of Magnesium …, 2023 - Elsevier
Hall-Petch slope (k) is an important material parameter, while there is a great challenge to
accurately predict the k value of magnesium alloys due to a high dependence of k on the …
accurately predict the k value of magnesium alloys due to a high dependence of k on the …
Rapidly predicting Kohn–Sham total energy using data-centric AI
Predicting material properties by solving the Kohn-Sham (KS) equation, which is the basis of
modern computational approaches to electronic structures, has provided significant …
modern computational approaches to electronic structures, has provided significant …
An interpretable hybrid machine learning prediction of dielectric constant of alkali halide crystals
J Deng, G Jia - Chemical Physics, 2022 - Elsevier
Exploring the data-driven prediction strategy of physical and chemical properties is attractive
for the rational design of crystal dielectrics with target characteristics, especially for the …
for the rational design of crystal dielectrics with target characteristics, especially for the …
Regeneration of Lithium-ion battery impedance using a novel machine learning framework and minimal empirical data
Abstract The use of Electrochemical Impedance Spectroscopy on rechargeable Lithium-ion
battery characterization is an extensively recognized non-destructive procedure for both in …
battery characterization is an extensively recognized non-destructive procedure for both in …
Regression and clustering algorithms for AgCu nanoalloys: from mixing energy predictions to structure recognition
The lowest-energy structures of AgCu nanoalloys are searched for by global optimization
algorithms for sizes 100 and 200 atoms depending on composition. Even though the AgCu …
algorithms for sizes 100 and 200 atoms depending on composition. Even though the AgCu …
Building Machine Learning systems for multi-atoms structures: CH3NH3PbI3 perovskite nanoparticles
In this study, we built a variety of Machine Learning (ML) systems over 23 different sizes of
CH 3 NH 3 PbI 3 perovskite nanoparticles (NPs) to predict the atoms in the NPs from their …
CH 3 NH 3 PbI 3 perovskite nanoparticles (NPs) to predict the atoms in the NPs from their …
Optical properties of Nb2O5 doped ZnO nanocomposite thin film deposited by thermionic vacuum arc
In this study, Nb 2 O 5: ZnO nanocomposite thin film has been deposited by thermionic
vacuum arc and then surface and optical properties of Nb 2 O 5: ZnO nanocomposite thin …
vacuum arc and then surface and optical properties of Nb 2 O 5: ZnO nanocomposite thin …
Rare-class learning over Mg-doped ZnO nanoparticles
This interdisciplinary study is conducted to find answers to two important questions which
researchers often face in Machine Learning (ML) and Material Science (MS) fields. In this …
researchers often face in Machine Learning (ML) and Material Science (MS) fields. In this …
Estimation of fission barrier heights for even–even superheavy nuclei using machine learning approaches
CM Yesilkanat, S Akkoyun - Journal of Physics G: Nuclear and …, 2023 - iopscience.iop.org
With the fission barrier height information, the survival probabilities of super-heavy nuclei
can also be reached. Therefore, it is important to have accurate knowledge of fission …
can also be reached. Therefore, it is important to have accurate knowledge of fission …