Emerging materials intelligence ecosystems propelled by machine learning

R Batra, L Song, R Ramprasad - Nature Reviews Materials, 2021 - nature.com
The age of cognitive computing and artificial intelligence (AI) is just dawning. Inspired by its
successes and promises, several AI ecosystems are blossoming, many of them within the …

A review of the recent progress in battery informatics

C Ling - npj Computational Materials, 2022 - nature.com
Batteries are of paramount importance for the energy storage, consumption, and
transportation in the current and future society. Recently machine learning (ML) has …

On-the-fly closed-loop materials discovery via Bayesian active learning

AG Kusne, H Yu, C Wu, H Zhang… - Nature …, 2020 - nature.com
Active learning—the field of machine learning (ML) dedicated to optimal experiment design—
has played a part in science as far back as the 18th century when Laplace used it to guide …

Invited review: Machine learning for materials developments in metals additive manufacturing

NS Johnson, PS Vulimiri, AC To, X Zhang, CA Brice… - Additive …, 2020 - Elsevier
In metals additive manufacturing (AM), materials and components are concurrently made in
a single process as layers of metal are fabricated on top of each other in the near-final …

Machine learning in materials science: Recent progress and emerging applications

T Mueller, AG Kusne… - Reviews in computational …, 2016 - Wiley Online Library
This chapter addresses the role that data‐driven approaches, especially machine learning
methods, are expected to play in materials research in the immediate future. Machine …

[HTML][HTML] Fulfilling the promise of the materials genome initiative with high-throughput experimental methodologies

ML Green, CL Choi, JR Hattrick-Simpers… - Applied Physics …, 2017 - pubs.aip.org
The Materials Genome Initiative, a national effort to introduce new materials into the market
faster and at lower cost, has made significant progress in computational simulation and …

Cements in the 21st century: Challenges, perspectives, and opportunities

JJ Biernacki, JW Bullard, G Sant… - Journal of the …, 2017 - Wiley Online Library
Since its widespread use in concrete began over 100 years ago, the chemical composition
and physical properties of portland cement have changed only incrementally in response to …

Adaptive machine learning framework to accelerate ab initio molecular dynamics

V Botu, R Ramprasad - International journal of quantum …, 2015 - Wiley Online Library
Quantum mechanics‐based ab initio molecular dynamics (MD) simulation schemes offer an
accurate and direct means to monitor the time evolution of materials. Nevertheless, the …

Combinatorial and high-throughput screening of materials libraries: review of state of the art

R Potyrailo, K Rajan, K Stoewe, I Takeuchi… - ACS combinatorial …, 2011 - ACS Publications
Rational materials design based on prior knowledge is attractive because it promises to
avoid time-consuming synthesis and testing of numerous materials candidates. However …