NES Tay, D Lehnherr, T Rovis - Chemical reviews, 2021 - ACS Publications
Redox processes are at the heart of synthetic methods that rely on either electrochemistry or photoredox catalysis, but how do electrochemistry and photoredox catalysis compare? Both …
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 …
Abstract Machine learning (ML) promises to tackle the grand challenges in chemistry and speed up the generation, improvement and/or ordering of research hypotheses. Despite the …
By combining metal nodes with organic linkers we can potentially synthesize millions of possible metal–organic frameworks (MOFs). The fact that we have so many materials opens …
Owing to the rapid developments to improve the accuracy and efficiency of both experimental and computational investigative methodologies, the massive amounts of data …
The ever-increasing demand for novel materials with superior properties inspires retrofitting traditional research paradigms in the era of artificial intelligence and automation. An …
S Chibani, FX Coudert - Apl Materials, 2020 - pubs.aip.org
We give here a brief overview of the use of machine learning (ML) in our field, for chemists and materials scientists with no experience with these techniques. We illustrate the workflow …
Large language models (LLMs) have emerged as powerful tools in chemistry, significantly impacting molecule design, property prediction, and synthesis optimization. This review …
Y Singh, SA Geringer, AV Demchenko - Chemical reviews, 2022 - ACS Publications
Advances in synthetic carbohydrate chemistry have dramatically improved access to common glycans. However, many novel methods still fail to adequately address challenges …