Density Functional Theory (DFT) has emerged as a pivotal tool in quantum mechanical simulations for investigating the electronic structure of matter, offering a balance between computational ...
Crystal structure prediction (CSP) of organic molecules is a critical task, especially in pharmaceuticals and materials ...
9don MSN
Machine learning workflow enables faster, more reliable organic crystal structure prediction
Prediction of crystal structures of organic molecules is a critical task in many industries, especially in pharmaceuticals and design of functional materials. In pharmaceuticals, crystal structures ...
In this paper I argue that the Integrated Information Theory of Consciousness has an underlying emergentist metaphysics, specifically of a kind that has received minimal attention and we may call ...
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