Models, by definition, are approximations: useful, informative, and inevitably incomplete, because they are the only way to simplify a world too complex to grasp all at once. A new study on nitrous ...

The Data Science and Modeling for Green Chemistry award aims to recognize the research and development of computational tools that guide the design of sustainable chemical processes and the execution ...

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The 2024 Nobel Prize in Chemistry is for computational protein design and structure prediction. David Baker, Demis Hassabis and John M. Jumper took home the prize for their work using artificial ...

Science is a subject built on doing. Students learn chemistry through titrations, biology through dissections, physics ...

Rapid advances in applying artificial intelligence to simulations in physics and chemistry have some people questioning whether we will even need quantum computers at all. Tech companies have been ...

Language models are now also being used in the natural sciences. In chemistry, they are employed, for instance, to predict new biologically active compounds. Chemical language models (CLMs) must be ...

Beneath Jupiter’s stormy clouds lies a world scientists have never directly seen, but new simulations are bringing it into focus. Researchers have revealed that the gas giant holds more oxygen and ...

The Schrödinger equation rewrote the rules of matter and forever changed the field of chemistry. Donald Truhlar, a chemist at the University of Minnesota, calls it the “greatest advance of the 20th ...