[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 …
[HTML][HTML] 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 …
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 …
Electronic properties of graphene nanoribbons with Stone-Wales defects using the tight-binding method
Driven by the scaling down of transistor node technology, graphene became of interest to
many researchers following the success of its fabrication as graphene nanoribbons (GNRs) …
many researchers following the success of its fabrication as graphene nanoribbons (GNRs) …
Deep learning-driven QSPR models for accurate properties estimation in organic solar cells using extended connectivity fingerprints
Bulk heterojunction solar cell (BHJ) materials represent a promising avenue for enhancing
environmental stability and practicality in solar cell technology. However, the vast array of …
environmental stability and practicality in solar cell technology. However, the vast array of …
Machine Learning meets Kepler: Inverting Kepler's Equation for All vs All Conjunction Analysis
KTJ Otto, S Burgis, K Kersting… - Machine Learning …, 2024 - iopscience.iop.org
The number of satellites in orbit around Earth is increasing rapidly, with the risk of collision
rising accordingly. Trends of the global population of satellites need to be analyzed to test …
rising accordingly. Trends of the global population of satellites need to be analyzed to test …