[HTML][HTML] Improving machine-learning models in materials science through large datasets

J Schmidt, TFT Cerqueira, AH Romero, A Loew… - Materials Today …, 2024 - Elsevier
The accuracy of a machine learning model is limited by the quality and quantity of the data
available for its training and validation. This problem is particularly challenging in materials …

[HTML][HTML] A machine learning approach for accelerated design of magnesium alloys. Part B: Regression and property prediction

M Ghorbani, M Boley, PNH Nakashima… - Journal of Magnesium and …, 2023 - Elsevier
Abstract Machine learning (ML) models provide great opportunities to accelerate novel
material development, offering a virtual alternative to laborious and resource-intensive …

Superconductivity in antiperovskites

N Hoffmann, TFT Cerqueira, J Schmidt… - NPJ Computational …, 2022 - nature.com
We present a comprehensive theoretical study of conventional superconductivity in cubic
antiperovskites materials with composition XYZ3 where X and Z are metals, and Y is H, B, C …

Transfer learning on large datasets for the accurate prediction of material properties

N Hoffmann, J Schmidt, S Botti, MAL Marques - Digital Discovery, 2023 - pubs.rsc.org
Graph neural networks trained on large crystal structure databases are extremely effective in
replacing ab initio calculations in the discovery and characterization of materials. However …

Crystal structure optimization with deep-autoencoder-based intrusion detection for secure internet of drones environment

KA Alissa, SS Alotaibi, FS Alrayes, M Aljebreen… - Drones, 2022 - mdpi.com
Drone developments, especially small-sized drones, usher in novel trends and possibilities
in various domains. Drones offer navigational inter-location services with the involvement of …

Dielectric function of alloy thin films

M Seifert, E Krüger, MS Bar, S Merker… - Physical Review …, 2022 - APS
We study the dielectric function of CuBr x I 1− x thin film alloys using spectroscopic
ellipsometry in the spectral range between 0.7 eV and 6.4 eV, in combination with first …

[HTML][HTML] Optical properties of AgxCu1–xI alloy thin films

E Krüger, M Seifert, V Gottschalch, H Krautscheid… - AIP Advances, 2023 - pubs.aip.org
We report on the excitonic transition energy E 0 and spin–orbit split-off energy Δ 0 of γ-Ag x
Cu 1–x I alloy thin films studied by using reflectivity measurements at temperatures between …

Universal Machine Learning Interatomic Potentials are Ready for Phonons

A Loew, D Sun, HC Wang, S Botti… - arxiv preprint arxiv …, 2024 - arxiv.org
There has been an ongoing race for the past couple of years to develop the best universal
machine learning interatomic potential. This rapid growth has driven researchers to create …

Exploring optimal pyramid textures using machine learning for high-performance solar cell production

D Hirpara, P Zala, M Bhaisare, CM Kumar… - Journal of …, 2025 - Springer
The pursuit of increasingly efficient and cost-effective solar energy solutions has driven
significant advancements in photovoltaic (PV) technologies over the past decade. Among …

Advances in Photovoltaic Technologies from Atomic to Device Scale

C David, R Hussein - Photonics, 2022 - mdpi.com
The question of how energy resources can be efficiently used is likewise of fundamental and
technological interest. In this opinion, we give a brief overview on developments of …