Engineered materials are ubiquitous throughout society and are critical to the development
of modern technology, yet many current material systems are inexorably tied to widespread …

The recent rise of computational, data-driven research has significant potential to accelerate
materials discovery. Automated workflows and materials databases are being rapidly …

Developing algorithmic approaches for the rational design and discovery of materials can
enable us to systematically find novel materials, which can have huge technological and …

Conspectus Ages of history are defined by the underlying materials that promoted human
development: stone, bronze, and iron ages. Since the middle of the last century, humanity …

Materials chemistry is at the forefront of the global “Fourth Industrial Revolution”, in part by
establishing a “Materials 4.0” paradigm. A key aspect of this paradigm is developing …

High-throughput computational materials design is an emerging area of materials science.
By combining advanced thermodynamic and electronic-structure methods with intelligent …

Novel functional materials are urgently needed to help combat the major global challenges
facing humanity, such as climate change and resource scarcity. Yet, the traditional …

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 …

Conspectus The ongoing revolution of the natural sciences by the advent of machine
learning and artificial intelligence sparked significant interest in the material science …

Breakthroughs in molecular and materials discovery require meaningful outliers to be
identified in existing trends. As knowledge accumulates, the inherent bias of human intuition …