Researchers have discovered a new way to drive chemical reactions that could generate a wide variety of azetidines -- four-membered nitrogen heterocycles that have desirable pharmaceutical properties.
The National Academies will convene a committee to organize a workshop on navigating the benefits and biosecurity risks of communicating studies involving the use of computational modeling and ...
Theory, computation, and simulation are foundational to modern energy research. Theoretical understanding reveals why materials and systems behave as they do, predicting performance before experiments ...
The rapid ascent of large-scale artificial intelligence has provided neuroscience with a new set of powerful tools for modeling complex cognitive functions.
When chemists design new chemical reactions, one useful piece of information involves the reaction's transition state—the point of no return from which a reaction must proceed. This information allows ...
In a recent article, researchers from the University of Jyväskylä, Finland, emphasize the importance of multiscale modeling of catalysis in understanding and developing (electro)chemical processes.
Artificial intelligence (AI) is rapidly transforming the tools that are central to global health decision-making in areas ...
The transition between wakefulness and states of reduced consciousness, whether pharmacologically induced via anesthesia or pathologically necessitated by ...
Computational modeling and simulation of nanomaterials strongly complement physical experiments. They enable the prediction of characteristics and processes under conditions difficult to replicate or ...
CAMBRIDGE, MA — Researchers from MIT and the University of Michigan have discovered a new way to drive chemical reactions that could generate a wide variety of compounds with desirable pharmaceutical ...
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