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 …

Emerging trends in machine learning: a polymer perspective

TB Martin, DJ Audus - ACS Polymers Au, 2023 - ACS Publications
In the last five years, there has been tremendous growth in machine learning and artificial
intelligence as applied to polymer science. Here, we highlight the unique challenges …

Benchmarking machine learning models for polymer informatics: an example of glass transition temperature

L Tao, V Varshney, Y Li - Journal of Chemical Information and …, 2021 - ACS Publications
In the field of polymer informatics, utilizing machine learning (ML) techniques to evaluate the
glass transition temperature T g and other properties of polymers has attracted extensive …

BigSMILES: a structurally-based line notation for describing macromolecules

TS Lin, CW Coley, H Mochigase, HK Beech… - ACS central …, 2019 - ACS Publications
Having a compact yet robust structurally based identifier or representation system is a key
enabling factor for efficient sharing and dissemination of research results within the …

A data ecosystem to support machine learning in materials science

B Blaiszik, L Ward, M Schwarting, J Gaff… - MRS …, 2019 - cambridge.org
Facilitating the application of machine learning (ML) to materials science problems requires
enhancing the data ecosystem to enable discovery and collection of data from many …

Workshop report on basic research needs for scientific machine learning: Core technologies for artificial intelligence

N Baker, F Alexander, T Bremer, A Hagberg… - 2019 - osti.gov
Scientific Machine Learning (SciML) and Artificial Intelligence (AI) will have broad use and
transformative effects across the Department of Energy. Accordingly, the January 2018 Basic …

PolyID: Artificial Intelligence for Discovering Performance-Advantaged and Sustainable Polymers

AN Wilson, PC St John, DH Marin, CB Hoyt… - …, 2023 - ACS Publications
A necessary transformation for a sustainable economy is the transition from fossil-derived
plastics to polymers derived from biomass and waste resources. While renewable …

A hybrid human–AI tool for scientometric analysis

A Correia, A Grover, S Jameel, D Schneider… - Artificial Intelligence …, 2023 - Springer
Solid research depends on systematic, verifiable and repeatable scientometric analysis.
However, scientometric analysis is difficult in the current research landscape characterized …

The Block Copolymer Phase Behavior Database

NJ Rebello, A Arora, H Mochigase, TS Lin… - Journal of Chemical …, 2024 - ACS Publications
The Block Copolymer Database (BCDB) is a platform that allows users to search, submit,
visualize, benchmark, and download experimental phase measurements and their …

Leveraging theory for enhanced machine learning

DJ Audus, A McDannald, B DeCost - ACS macro letters, 2022 - ACS Publications
The application of machine learning to the materials domain has traditionally struggled with
two major challenges: a lack of large, curated data sets and the need to understand the …