Artificial intelligence: A powerful paradigm for scientific research
Artificial intelligence (AI) coupled with promising machine learning (ML) techniques well
known from computer science is broadly affecting many aspects of various fields including …
known from computer science is broadly affecting many aspects of various fields including …
Dye-sensitized solar cells strike back
Dye-sensitized solar cells (DSCs) are celebrating their 30th birthday and they are attracting
a wealth of research efforts aimed at unleashing their full potential. In recent years, DSCs …
a wealth of research efforts aimed at unleashing their full potential. In recent years, DSCs …
The rise of self-driving labs in chemical and materials sciences
Accelerating the discovery of new molecules and materials, as well as develo** green
and sustainable ways to synthesize them, will help to address global challenges in energy …
and sustainable ways to synthesize them, will help to address global challenges in energy …
Artificial intelligence applied to battery research: hype or reality?
This is a critical review of artificial intelligence/machine learning (AI/ML) methods applied to
battery research. It aims at providing a comprehensive, authoritative, and critical, yet easily …
battery research. It aims at providing a comprehensive, authoritative, and critical, yet easily …
Emerging Strategies for CO2 Photoreduction to CH4: From Experimental to Data‐Driven Design
The solar‐energy‐driven photoreduction of CO2 has recently emerged as a promising
approach to directly transform CO2 into valuable energy sources under mild conditions. As a …
approach to directly transform CO2 into valuable energy sources under mild conditions. As a …
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 …
SELFIES and the future of molecular string representations
Artificial intelligence (AI) and machine learning (ML) are expanding in popularity for broad
applications to challenging tasks in chemistry and materials science. Examples include the …
applications to challenging tasks in chemistry and materials science. Examples include the …
Extending machine learning beyond interatomic potentials for predicting molecular properties
Abstract Machine learning (ML) is becoming a method of choice for modelling complex
chemical processes and materials. ML provides a surrogate model trained on a reference …
chemical processes and materials. ML provides a surrogate model trained on a reference …
Cross-property deep transfer learning framework for enhanced predictive analytics on small materials data
Artificial intelligence (AI) and machine learning (ML) have been increasingly used in
materials science to build predictive models and accelerate discovery. For selected …
materials science to build predictive models and accelerate discovery. For selected …
Toward autonomous laboratories: Convergence of artificial intelligence and experimental automation
The ever-increasing demand for novel materials with superior properties inspires retrofitting
traditional research paradigms in the era of artificial intelligence and automation. An …
traditional research paradigms in the era of artificial intelligence and automation. An …