Data-driven materials research enabled by natural language processing and information extraction

EA Olivetti, JM Cole, E Kim, O Kononova… - Applied Physics …, 2020 - pubs.aip.org
Given the emergence of data science and machine learning throughout all aspects of
society, but particularly in the scientific domain, there is increased importance placed on …

[HTML][HTML] Opportunities and challenges of text mining in materials research

O Kononova, T He, H Huo, A Trewartha, EA Olivetti… - Iscience, 2021 - cell.com
Research publications are the major repository of scientific knowledge. However, their
unstructured and highly heterogenous format creates a significant obstacle to large-scale …

Quantifying the advantage of domain-specific pre-training on named entity recognition tasks in materials science

A Trewartha, N Walker, H Huo, S Lee, K Cruse… - Patterns, 2022 - cell.com
A bottleneck in efficiently connecting new materials discoveries to established literature has
arisen due to an increase in publications. This problem may be addressed by using named …

The value of negative results in data-driven catalysis research

T Taniike, K Takahashi - Nature Catalysis, 2023 - nature.com
Data science and machine learning have the potential to accelerate the discovery of
effective catalysts; however, these approaches are currently held back by the issue of …

Machine learning for high-throughput experimental exploration of metal halide perovskites

M Ahmadi, M Ziatdinov, Y Zhou, EA Lass, SV Kalinin - Joule, 2021 - cell.com
Metal halide perovskites (MHPs) have catapulted to the forefront of energy research due to
the unique combination of high device performance, low materials cost, and facile solution …

Hypothesis learning in automated experiment: application to combinatorial materials libraries

MA Ziatdinov, Y Liu, AN Morozovska… - Advanced …, 2022 - Wiley Online Library
Abstract Machine learning is rapidly becoming an integral part of experimental physical
discovery via automated and high‐throughput synthesis, and active experiments in …

Semi-supervised machine-learning classification of materials synthesis procedures

H Huo, Z Rong, O Kononova, W Sun, T Botari… - Npj Computational …, 2019 - nature.com
Digitizing large collections of scientific literature can enable new informatics approaches for
scientific analysis and meta-analysis. However, most content in the scientific literature is …

The materials science procedural text corpus: Annotating materials synthesis procedures with shallow semantic structures

S Mysore, Z Jensen, E Kim, K Huang… - arxiv preprint arxiv …, 2019 - arxiv.org
Materials science literature contains millions of materials synthesis procedures described in
unstructured natural language text. Large-scale analysis of these synthesis procedures …

Inorganic materials synthesis planning with literature-trained neural networks

E Kim, Z Jensen, A van Grootel, K Huang… - Journal of chemical …, 2020 - ACS Publications
Leveraging new data sources is a key step in accelerating the pace of materials design and
discovery. To complement the strides in synthesis planning driven by historical …

Machine-learning rationalization and prediction of solid-state synthesis conditions

H Huo, CJ Bartel, T He, A Trewartha, A Dunn… - Chemistry of …, 2022 - ACS Publications
There currently exist no quantitative methods to determine the appropriate conditions for
solid-state synthesis. This not only hinders the experimental realization of novel materials …