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 ...
Large language models are powering a new generation of AI agents that could transform computational chemistry from a ...
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 ...
Computational Chemistry is the study of complex chemical problems using a combination of computer simulations, chemistry theory and information science. Also called cheminformatics, this field enables ...
Researchers from the University of Chinese Academy of Sciences and collaborating institutions have developed a novel ...
Theory and understanding underpin a great deal of experimentation and engineering. Working together experimentalists can be guided by theoretical predictions and theoreticians can refine their models ...
Computational modeling and simulation of nanomaterials strongly complement physical experiments. They enable the prediction of characteristics and processes under conditions difficult to replicate or ...
Biomedical Artificial Intelligence and Computational Modeling are new emerging areas in biomedical engineering. These areas cover: Data analysis and interpretation: developing and applying algorithms ...
A new computational model of the brain based closely on its biology and physiology has not only learned a simple visual ...
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.
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