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 …

Data‐driven materials innovation and applications

Z Wang, Z Sun, H Yin, X Liu, J Wang, H Zhao… - Advanced …, 2022‏ - Wiley Online Library
Owing to the rapid developments to improve the accuracy and efficiency of both
experimental and computational investigative methodologies, the massive amounts of data …

Autonomous experimentation systems for materials development: A community perspective

E Stach, B DeCost, AG Kusne, J Hattrick-Simpers… - Matter, 2021‏ - cell.com
Solutions to many of the world's problems depend upon materials research and
development. However, advanced materials can take decades to discover and decades …

A priori control of zeolite phase competition and intergrowth with high-throughput simulations

D Schwalbe-Koda, S Kwon, C Paris, E Bello-Jurado… - Science, 2021‏ - science.org
Zeolites are versatile catalysts and molecular sieves with large topological diversity, but
managing phase competition in zeolite synthesis is an empirical, labor-intensive task. In this …

Simulation intelligence: Towards a new generation of scientific methods

A Lavin, D Krakauer, H Zenil, J Gottschlich… - arxiv preprint arxiv …, 2021‏ - arxiv.org
The original" Seven Motifs" set forth a roadmap of essential methods for the field of scientific
computing, where a motif is an algorithmic method that captures a pattern of computation …

Machine learning in energy storage materials

ZH Shen, HX Liu, Y Shen, JM Hu… - Interdisciplinary …, 2022‏ - Wiley Online Library
With its extremely strong capability of data analysis, machine learning has shown versatile
potential in the revolution of the materials research paradigm. Here, taking dielectric …

Machine learning techniques for prediction of capacitance and remaining useful life of supercapacitors: A comprehensive review

V Sawant, R Deshmukh, C Awati - Journal of Energy Chemistry, 2023‏ - Elsevier
Supercapacitors are appealing energy storage devices for their promising features like high
power density, outstanding cycling stability, and a quick charge–discharge cycle. The …

FAIR for AI: An interdisciplinary and international community building perspective

EA Huerta, B Blaiszik, LC Brinson, KE Bouchard… - Scientific data, 2023‏ - nature.com
A foundational set of findable, accessible, interoperable, and reusable (FAIR) principles
were proposed in 2016 as prerequisites for proper data management and stewardship, with …

Machine learning interatomic potential: Bridge the gap between small-scale models and realistic device-scale simulations

G Wang, C Wang, X Zhang, Z Li, J Zhou, Z Sun - Iscience, 2024‏ - cell.com
Summary Machine Learning Interatomic Potential (MLIP) overcomes the challenges of high
computational costs in density-functional theory and the relatively low accuracy in classical …

Principles of the battery data genome

L Ward, S Babinec, EJ Dufek, DA Howey… - Joule, 2022‏ - cell.com
Batteries are central to modern society. They are no longer just a convenience but a critical
enabler of the transition to a resilient, low-carbon economy. Battery development capabilities …