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Self-driving laboratories for chemistry and materials science
Self-driving laboratories (SDLs) promise an accelerated application of the scientific method.
Through the automation of experimental workflows, along with autonomous experimental …
Through the automation of experimental workflows, along with autonomous experimental …
Drug design on quantum computers
The promised industrial applications of quantum computers often rest on their anticipated
ability to perform accurate, efficient quantum chemical calculations. Computational drug …
ability to perform accurate, efficient quantum chemical calculations. Computational drug …
Automated self-optimization, intensification, and scale-up of photocatalysis in flow
The optimization, intensification, and scale-up of photochemical processes constitute a
particular challenge in a manufacturing environment geared primarily toward thermal …
particular challenge in a manufacturing environment geared primarily toward thermal …
Identifying general reaction conditions by bandit optimization
Reaction conditions that are generally applicable to a wide variety of substrates are highly
desired, especially in the pharmaceutical and chemical industries,,,,–. Although many …
desired, especially in the pharmaceutical and chemical industries,,,,–. Although many …
Artificial intelligence for retrosynthetic planning needs both data and expert knowledge
F Strieth-Kalthoff, S Szymkuc, K Molga… - Journal of the …, 2024 - ACS Publications
Rapid advancements in artificial intelligence (AI) have enabled breakthroughs across many
scientific disciplines. In organic chemistry, the challenge of planning complex multistep …
scientific disciplines. In organic chemistry, the challenge of planning complex multistep …
In pursuit of the exceptional: research directions for machine learning in chemical and materials science
Exceptional molecules and materials with one or more extraordinary properties are both
technologically valuable and fundamentally interesting, because they often involve new …
technologically valuable and fundamentally interesting, because they often involve new …
Accelerated chemical science with AI
In light of the pressing need for practical materials and molecular solutions to renewable
energy and health problems, to name just two examples, one wonders how to accelerate …
energy and health problems, to name just two examples, one wonders how to accelerate …
Circularity in polymers: addressing performance and sustainability challenges using dynamic covalent chemistries
The circularity of current and future polymeric materials is a major focus of fundamental and
applied research, as undesirable end-of-life outcomes and waste accumulation are global …
applied research, as undesirable end-of-life outcomes and waste accumulation are global …
A dynamic knowledge graph approach to distributed self-driving laboratories
The ability to integrate resources and share knowledge across organisations empowers
scientists to expedite the scientific discovery process. This is especially crucial in addressing …
scientists to expedite the scientific discovery process. This is especially crucial in addressing …
On the horizon of greener pathways to travel into a greener future portal: Green MXenes, environment-friendly synthesis, and their innovative applications
It has been determined that the exceptional characteristics of MXenes are of great interest in
a variety of newly developed applications. MXenes, on the other hand, have a number of …
a variety of newly developed applications. MXenes, on the other hand, have a number of …