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 …

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 …

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 …

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 …

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 …

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 …

The NOMAD Artificial-Intelligence Toolkit: turning materials-science data into knowledge and understanding

L Sbailò, Á Fekete, LM Ghiringhelli… - npj Computational …, 2022 - nature.com
Abstract We present the Novel-Materials-Discovery (NOMAD) Artificial-Intelligence (AI)
Toolkit, a web-browser-based infrastructure for the interactive AI-based analysis of materials …

Linking scientific instruments and computation: Patterns, technologies, and experiences

R Vescovi, R Chard, ND Saint, B Blaiszik, J Pruyne… - Patterns, 2022 - cell.com
Powerful detectors at modern experimental facilities routinely collect data at multiple GB/s.
Online analysis methods are needed to enable the collection of only interesting subsets of …