Self-driving laboratories for chemistry and materials science
Self-driving laboratories (SDLs) promise an accelerated application of the scientific method.
Through the automation of experimental workflows, along with autonomous experimental …
Through the automation of experimental workflows, along with autonomous experimental …
Challenges to develo** materials for the transport and storage of hydrogen
Hydrogen has the highest gravimetric energy density of any energy carrier and produces
water as the only oxidation product, making it extremely attractive for both transportation and …
water as the only oxidation product, making it extremely attractive for both transportation and …
Scaling deep learning for materials discovery
Novel functional materials enable fundamental breakthroughs across technological
applications from clean energy to information processing,,,,,,,,,–. From microchips to batteries …
applications from clean energy to information processing,,,,,,,,,–. From microchips to batteries …
Machine learning for alloys
Alloy modelling has a history of machine-learning-like approaches, preceding the tide of
data-science-inspired work. The dawn of computational databases has made the integration …
data-science-inspired work. The dawn of computational databases has made the integration …
Screening strategy for develo** thermoelectric interface materials
Thermoelectric interface materials (TEiMs) are essential to the development of
thermoelectric generators. Common TEiMs use pure metals or binary alloys but have …
thermoelectric generators. Common TEiMs use pure metals or binary alloys but have …
Machine learning for high-entropy alloys: Progress, challenges and opportunities
High-entropy alloys (HEAs) have attracted extensive interest due to their exceptional
mechanical properties and the vast compositional space for new HEAs. However …
mechanical properties and the vast compositional space for new HEAs. However …
Combining machine learning and computational chemistry for predictive insights into chemical systems
Machine learning models are poised to make a transformative impact on chemical sciences
by dramatically accelerating computational algorithms and amplifying insights available from …
by dramatically accelerating computational algorithms and amplifying insights available from …
Design of functional and sustainable polymers assisted by artificial intelligence
Artificial intelligence (AI)-based methods continue to make inroads into accelerated
materials design and development. Here, we review AI-enabled advances made in the …
materials design and development. Here, we review AI-enabled advances made in the …
Machine learning: an advanced platform for materials development and state prediction in lithium‐ion batteries
Lithium‐ion batteries (LIBs) are vital energy‐storage devices in modern society. However,
the performance and cost are still not satisfactory in terms of energy density, power density …
the performance and cost are still not satisfactory in terms of energy density, power density …
Heusler alloys: Past, properties, new alloys, and prospects
Heusler alloys, discovered serendipitously at the beginning of the twentieth century, have
emerged in the twenty-first century as exciting materials for numerous remarkable functional …
emerged in the twenty-first century as exciting materials for numerous remarkable functional …