Materials property prediction with uncertainty quantification: A benchmark study

D Varivoda, R Dong, SS Omee, J Hu - Applied Physics Reviews, 2023 - pubs.aip.org
Uncertainty quantification (UQ) has increasing importance in the building of robust high-
performance and generalizable materials property prediction models. It can also be used in …

Deep alloys: Metal materials empowered by deep learning

K Zheng, Z He, L Che, H Cheng, M Ge, T Si… - Materials Science in …, 2024 - Elsevier
With the rapid development of technologies such as computer science, big data, and
artificial intelligence, the emergence of a vast amount of data has brought developmental …

[HTML][HTML] Synchrotron Radiation Data-Driven Artificial Intelligence Approaches in Materials Discovery

Q Li, R Xing, L Li, H Yao, L Wu, L Zhao - Artificial Intelligence Chemistry, 2024 - Elsevier
Synchrotron radiation technology provides high-resolution and high-sensitivity information
for many fields such as material science, life science, and energy research. Synchrotron …

Crystal Structure Assignment for Unknown Compounds from X-ray Diffraction Patterns with Deep Learning

L Chen, B Wang, W Zhang, S Zheng… - Journal of the …, 2024 - ACS Publications
Determining the structures of previously unseen compounds from experimental
characterizations is a crucial part of materials science. It requires a step of searching for the …

A Deep Learning Approach to Powder X‐Ray Diffraction Pattern Analysis: Addressing Generalizability and Perturbation Issues Simultaneously

BD Lee, JW Lee, J Ahn, S Kim… - Advanced Intelligent …, 2023 - Wiley Online Library
A deep learning (DL)‐based approach for analysis is proposed. Using synthetic XRD data
for a DL approach is inevitable due to the lack of real‐world XRD data. There are two main …

Creation of crystal structure reproducing X-ray diffraction pattern without using database

J Lee, J Oba, N Ohba, S Kajita - npj Computational Materials, 2023 - nature.com
When a sample's X-ray diffraction pattern (XRD) is measured, the corresponding crystal
structure is usually determined by searching for similar XRD patterns in the database …

Manganese (II) Halides for X‐Ray Imaging and Moisture Detection

R Jiang, G Peng, Q Li, H Wang, Z Ci… - Advanced Materials …, 2024 - Wiley Online Library
Organic–inorganic hybrid metal halides are widely used in X‐ray detection and imaging due
to their high X‐ray absorption efficiency, ease of synthesis, and efficient luminescence …

Stabilization of Na‐Ion Cathode Surfaces: Combinatorial Experiments with Insights from Machine Learning Models

S Jia, M Abdolhosseini, C Liu… - Advanced Energy …, 2024 - Wiley Online Library
Na–Fe–Mn–O cathodes hold promise for environmentally benign high‐energy sodium‐ion
batteries, addressing material scarcity concerns in Li‐ion batteries. To date, these materials …

Introduction to materials informatics

K Rajan, J Behler, CJ Pickard - Materials Advances, 2023 - pubs.rsc.org
Materials Informatics has emerged from a fusion of the increasing availability of materials
data, high throughput experimental and computational methods, first principles and other …

Deep Learning Algorithm Composition System Based on Music Score Recognition

X Guo, S Du - 2022 International Conference on Knowledge …, 2022 - ieeexplore.ieee.org
With the development of computer science and music technology, algorithms have been
widely studied and applied in the field of computer composition. The “computer generated …