[HTML][HTML] Materials discovery and design using machine learning

Y Liu, T Zhao, W Ju, S Shi - Journal of Materiomics, 2017 - Elsevier
… the applications of machine learning in Materials Discovery and … toward which to conduct
materials discovery and design. The … description of machine learning in materials science and …

Accelerating materials discovery using machine learning

Y Juan, Y Dai, Y Yang, J Zhang - … of Materials Science & Technology, 2021 - Elsevier
… Common processes of machine learning in materials science A basic framework of materials
discovery and design based on ML methods is shown in Fig. 3, in which, three main steps …

Machine learning-driven new material discovery

J Cai, X Chu, K Xu, H Li, J Wei - Nanoscale Advances, 2020 - pubs.rsc.org
machine learning in material discovery, including data preprocessing, feature engineering,
machine learning … DFT calculations with machine learning for material discovery. Many …

Machine learning in materials discovery: confirmed predictions and their underlying approaches

JE Saal, AO Oliynyk, B Meredig - Annual Review of Materials …, 2020 - annualreviews.org
… interest in machine learning (ML) for materials discovery has … common to materials informatics
discovery pipelines, such as … -driven materials discovery across a wide variety of materials

Machine-learning-assisted materials discovery using failed experiments

P Raccuglia, KC Elbert, PDF Adler, C Falk, MB Wenny… - Nature, 2016 - nature.com
… approach that uses machine-learning algorithms trained on … We used the resulting data to
train a machine-learning … building blocks, our machine-learning model outperformed traditional …

Genetic algorithms for computational materials discovery accelerated by machine learning

PC Jennings, S Lysgaard, JS Hummelshøj… - … Materials, 2019 - nature.com
… qualities of the genetic algorithm with rapid machine learning. The approach is used to …
for accelerated materials discovery, eg, nanoalloy catalysts. The machine learning accelerated …

Materials discovery through machine learning formation energy

GGC Peterson, J Brgoch - Journal of Physics: Energy, 2021 - iopscience.iop.org
… This review focuses on the prediction of formation energy using machine learning and its
role in guiding the synthesis of new inorganic materials for energy-relevant applications. This …

Materials discovery with machine learning and knowledge discovery

ON Oliveira Jr, MCF Oliveira - Frontiers in chemistry, 2022 - frontiersin.org
… on supervised machine learning, currently the most employed paradigm in materials discovery.
However, examples may also be found which use unsupervised machine learning, and …

Machine learning based approaches to accelerate energy materials discovery and optimization

D Krishnamurthy, H Weiland, A Barati Farimani… - ACS energy …, 2018 - ACS Publications
learning. The motivation … materials discovery through machine learning based approaches
and the common pitfalls while employing such techniques. The TMS Machine Learning

[HTML][HTML] Machine learning for materials design and discovery

R Vasudevan, G Pilania… - Journal of Applied Physics, 2021 - pubs.aip.org
We are excited to present this Special Topic collection on Machine Learning for Materials
Design and Discovery in the Journal of Applied Physics. With a wide range of exciting and …