Artificial intelligence (AI) is increasingly transforming computational mechanics, yet many AI-driven models remain limited by poor interpretability, weak generalization, and insufficient physical ...
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 ...
WASHINGTON — A new report from the National Academies of Sciences, Engineering, and Medicine examines how the U.S. Department of Energy could use foundation models for scientific research, and finds ...
This diagram illustrates how the team reduces quantum circuit complexity in machine learning using three encoding methods—variational, genetic, and matrix product state algorithms. All methods ...
When experiments are impractical, density functional theory (DFT) calculations can give researchers accurate approximations of chemical properties. The mathematical equations that underpin the ...
In the same vein as weather forecast models that predict developing storms, researchers have now developed a method to predict the cell activity in tissues over time. The new software combines ...
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