Density Functional Theory (DFT) has emerged as a cornerstone in modern computational chemistry, offering a robust framework to predict and elucidate molecular structures and reaction mechanisms. By ...
Researchers develop an AI-based platform that integrates reaction data with catalyst performance for the design of new ...
The willingness of the 4f orbitals of lanthanide metals to participate in chemical reactions is as rare as their presence in Earth's crust. A recent study, however, witnessed the 4f orbital in a ...
Controlling chemical reactions to generate new products is one of the biggest challenges in chemistry. Developments in this area impact industry, for example, by reducing the waste generated in the ...
WEST LAFAYETTE, Ind. – Machine learning has been used widely in the chemical sciences for drug design and other processes. The models that are prospectively tested for new reaction outcomes and used ...
CatDRX is a generative AI framework developed at Institute of Science Tokyo, which enables the design of new chemical catalysts based on the specific chemical reactions in which they are used. The ...
Note: This video is designed to help the teacher better understand the lesson and is NOT intended to be shown to students. It includes observations and conclusions that students are meant to make on ...
Note: This video is designed to help the teacher better understand the lesson and is NOT intended to be shown to students. It includes observations and conclusions that students are meant to make on ...
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