Machine learning for electrocatalyst and photocatalyst design and discovery
Electrocatalysts and photocatalysts are key to a sustainable future, generating clean fuels,
reducing the impact of global warming, and providing solutions to environmental pollution …
reducing the impact of global warming, and providing solutions to environmental pollution …
Knowledge-integrated machine learning for materials: lessons from gameplaying and robotics
As materials researchers increasingly embrace machine-learning (ML) methods, it is natural
to wonder what lessons can be learned from other fields undergoing similar developments …
to wonder what lessons can be learned from other fields undergoing similar developments …
Best practices in machine learning for chemistry
Best practices in machine learning for chemistry | Nature Chemistry Skip to main content
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Computational discovery of transition-metal complexes: from high-throughput screening to machine learning
Transition-metal complexes are attractive targets for the design of catalysts and functional
materials. The behavior of the metal–organic bond, while very tunable for achieving target …
materials. The behavior of the metal–organic bond, while very tunable for achieving target …
Artificial intelligence-powered electronic skin
Skin-interfaced electronics is gradually changing medical practices by enabling continuous
and non-invasive tracking of physiological and biochemical information. With the rise of big …
and non-invasive tracking of physiological and biochemical information. With the rise of big …
Human-and machine-centred designs of molecules and materials for sustainability and decarbonization
Breakthroughs in molecular and materials discovery require meaningful outliers to be
identified in existing trends. As knowledge accumulates, the inherent bias of human intuition …
identified in existing trends. As knowledge accumulates, the inherent bias of human intuition …
The role of machine learning in the understanding and design of materials
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 …
enable us to systematically find novel materials, which can have huge technological and …
[HTML][HTML] Understanding the diversity of the metal-organic framework ecosystem
Millions of distinct metal-organic frameworks (MOFs) can be made by combining metal
nodes and organic linkers. At present, over 90,000 MOFs have been synthesized and over …
nodes and organic linkers. At present, over 90,000 MOFs have been synthesized and over …
A critical review of machine learning of energy materials
Abstract Machine learning (ML) is rapidly revolutionizing many fields and is starting to
change landscapes for physics and chemistry. With its ability to solve complex tasks …
change landscapes for physics and chemistry. With its ability to solve complex tasks …
Data-driven materials research enabled by natural language processing and information extraction
Given the emergence of data science and machine learning throughout all aspects of
society, but particularly in the scientific domain, there is increased importance placed on …
society, but particularly in the scientific domain, there is increased importance placed on …