Data-driven materials research enabled by natural language processing and information extraction
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 …
society, but particularly in the scientific domain, there is increased importance placed on …
Emerging trends in machine learning: a polymer perspective
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 …
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
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 …
glass transition temperature T g and other properties of polymers has attracted extensive …
BigSMILES: a structurally-based line notation for describing macromolecules
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 …
enabling factor for efficient sharing and dissemination of research results within the …
A data ecosystem to support machine learning in materials science
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 …
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
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 …
transformative effects across the Department of Energy. Accordingly, the January 2018 Basic …
PolyID: Artificial Intelligence for Discovering Performance-Advantaged and Sustainable Polymers
A necessary transformation for a sustainable economy is the transition from fossil-derived
plastics to polymers derived from biomass and waste resources. While renewable …
plastics to polymers derived from biomass and waste resources. While renewable …
A hybrid human–AI tool for scientometric analysis
Solid research depends on systematic, verifiable and repeatable scientometric analysis.
However, scientometric analysis is difficult in the current research landscape characterized …
However, scientometric analysis is difficult in the current research landscape characterized …
The Block Copolymer Phase Behavior Database
The Block Copolymer Database (BCDB) is a platform that allows users to search, submit,
visualize, benchmark, and download experimental phase measurements and their …
visualize, benchmark, and download experimental phase measurements and their …
Leveraging theory for enhanced machine learning
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 …
two major challenges: a lack of large, curated data sets and the need to understand the …