Mesoscopic and multiscale modelling in materials
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 …
procedures that seek to simulate continuum-scale behaviour using information gleaned from …
Data‐driven materials science: status, challenges, and perspectives
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 …
the new resource, and knowledge is extracted from materials datasets that are too big or …
Emerging materials intelligence ecosystems propelled by machine learning
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 …
successes and promises, several AI ecosystems are blossoming, many of them within the …
Polymer informatics: Current status and critical next steps
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 …
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
Abstract Although Bayesian Optimization (BO) has been employed for accelerating materials
design in computational materials engineering, existing works are restricted to problems …
design in computational materials engineering, existing works are restricted to problems …
Data‐Driven Design for Metamaterials and Multiscale Systems: A Review
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 …
go beyond those found in nature. Composed of unit cells with rich designability that are …
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 …
Guiding the design of heterogeneous electrode microstructures for Li‐ion batteries: microscopic imaging, predictive modeling, and machine learning
Electrochemical and mechanical properties of lithium‐ion battery materials are heavily
dependent on their 3D microstructure characteristics. A quantitative understanding of the …
dependent on their 3D microstructure characteristics. A quantitative understanding of the …
Microstructural materials design via deep adversarial learning methodology
Identifying the key microstructure representations is crucial for computational materials
design (CMD). However, existing microstructure characterization and reconstruction (MCR) …
design (CMD). However, existing microstructure characterization and reconstruction (MCR) …
Materials informatics
Materials informatics employs techniques, tools, and theories drawn from the emerging
fields of data science, internet, computer science and engineering, and digital technologies …
fields of data science, internet, computer science and engineering, and digital technologies …