Mesoscopic and multiscale modelling in materials

J Fish, GJ Wagner, S Keten - Nature materials, 2021 - nature.com
The concept of multiscale modelling has emerged over the last few decades to describe
procedures that seek to simulate continuum-scale behaviour using information gleaned from …

Data‐driven materials science: status, challenges, and perspectives

L Himanen, A Geurts, AS Foster, P Rinke - Advanced Science, 2019 - Wiley Online Library
Data‐driven science is heralded as a new paradigm in materials science. In this field, data is
the new resource, and knowledge is extracted from materials datasets that are too big or …

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 …

Polymer informatics: Current status and critical next steps

L Chen, G Pilania, R Batra, TD Huan, C Kim… - Materials Science and …, 2021 - Elsevier
Artificial intelligence (AI) based approaches are beginning to impact several domains of
human life, science and technology. Polymer informatics is one such domain where AI and …

Bayesian optimization for materials design with mixed quantitative and qualitative variables

Y Zhang, DW Apley, W Chen - Scientific reports, 2020 - nature.com
Abstract Although Bayesian Optimization (BO) has been employed for accelerating materials
design in computational materials engineering, existing works are restricted to problems …

Data‐Driven Design for Metamaterials and Multiscale Systems: A Review

D Lee, W Chen, L Wang, YC Chan… - Advanced …, 2024 - Wiley Online Library
Metamaterials are artificial materials designed to exhibit effective material parameters that
go beyond those found in nature. Composed of unit cells with rich designability that are …

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 …

Guiding the design of heterogeneous electrode microstructures for Li‐ion batteries: microscopic imaging, predictive modeling, and machine learning

H Xu, J Zhu, DP Finegan, H Zhao, X Lu… - Advanced Energy …, 2021 - Wiley Online Library
Electrochemical and mechanical properties of lithium‐ion battery materials are heavily
dependent on their 3D microstructure characteristics. A quantitative understanding of the …

Microstructural materials design via deep adversarial learning methodology

Z Yang, X Li, L Catherine Brinson… - Journal of …, 2018 - asmedigitalcollection.asme.org
Identifying the key microstructure representations is crucial for computational materials
design (CMD). However, existing microstructure characterization and reconstruction (MCR) …

Materials informatics

S Ramakrishna, TY Zhang, WC Lu, Q Qian… - Journal of Intelligent …, 2019 - Springer
Materials informatics employs techniques, tools, and theories drawn from the emerging
fields of data science, internet, computer science and engineering, and digital technologies …