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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 …
Photocatalytic CO2 reduction
Using sunlight to power CO2 conversion into value-added chemicals and fuels is a
promising technology to use anthropogenic CO2 emissions for alleviating our dependence …
promising technology to use anthropogenic CO2 emissions for alleviating our dependence …
Recent advances and applications of deep learning methods in materials science
Deep learning (DL) is one of the fastest-growing topics in materials data science, with
rapidly emerging applications spanning atomistic, image-based, spectral, and textual data …
rapidly emerging applications spanning atomistic, image-based, spectral, and textual data …
Materials for extreme environments
Materials for extreme environments can help to protect people, structures and the planet.
Extreme temperatures in aeroplane engines, hypervelocity micrometeoroid impacts on …
Extreme temperatures in aeroplane engines, hypervelocity micrometeoroid impacts on …
AlphaFlow: autonomous discovery and optimization of multi-step chemistry using a self-driven fluidic lab guided by reinforcement learning
Closed-loop, autonomous experimentation enables accelerated and material-efficient
exploration of large reaction spaces without the need for user intervention. However …
exploration of large reaction spaces without the need for user intervention. However …
Autonomous, multiproperty-driven molecular discovery: From predictions to measurements and back
A closed-loop, autonomous molecular discovery platform driven by integrated machine
learning tools was developed to accelerate the design of molecules with desired properties …
learning tools was developed to accelerate the design of molecules with desired properties …
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 …
Revolutionizing drug formulation development: The increasing impact of machine learning
Over the past few years, the adoption of machine learning (ML) techniques has rapidly
expanded across many fields of research including formulation science. At the same time …
expanded across many fields of research including formulation science. At the same time …
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 …
Recent advances and applications of machine learning in experimental solid mechanics: A review
For many decades, experimental solid mechanics has played a crucial role in characterizing
and understanding the mechanical properties of natural and novel artificial materials …
and understanding the mechanical properties of natural and novel artificial materials …