Chemical reviews
Jul 29, 2022
Reaction discovery and catalyst screening lie at the heart of synthetic organic chemistry. While there are efforts at catalyst design using computation/artificial intelligence, at its core, synthetic chemistry is an experimental science. This review...
Chemical reviews
Jul 21, 2022
Electrocatalysts and photocatalysts are key to a sustainable future, generating clean fuels, reducing the impact of global warming, and providing solutions to environmental pollution. Improved processes for catalyst design and a better understanding ...
Chemical reviews
Jun 27, 2022
Artificial intelligence and specifically machine learning applications are nowadays used in a variety of scientific applications and cutting-edge technologies, where they have a transformative impact. Such an assembly of statistical and linear algebr...
Chemical reviews
Jun 24, 2022
Recent years have witnessed promising artificial intelligence (AI) applications in many disciplines, including optics, engineering, medicine, economics, and education. In particular, the synergy of AI and meta-optics has greatly benefited both fields...
Chemical reviews
Feb 1, 2022
In conventional classification, soft robots feature mechanical compliance as the main distinguishing factor from traditional robots made of rigid materials. Recent advances in functional soft materials have facilitated the emergence of a new class of...
Chemical reviews
Sep 16, 2021
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 understandable, review of general interest to the battery...
Chemical reviews
Aug 13, 2021
Chemical compound space (CCS), the set of all theoretically conceivable combinations of chemical elements and (meta-)stable geometries that make up matter, is colossal. The first-principles based virtual sampling of this space, for example, in search...
Chemical reviews
Jul 14, 2021
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 properties, is challenging to predict and necessitates searching a...
Chemical reviews
Mar 29, 2021
Since their introduction about 25 years ago, machine learning (ML) potentials have become an important tool in the field of atomistic simulations. After the initial decade, in which neural networks were successfully used to construct potentials for r...
Chemical reviews
Feb 1, 2021
Over the past 15 years, the field of microrobotics has exploded with many research groups from around the globe contributing to numerous innovations that have led to exciting new capabilities and important applications, ranging from drug delivery, t...