New computational chemistry techniques accelerate the prediction of molecules and materials

TL;DR


Summary:
- The article discusses new computational chemistry techniques developed by researchers at MIT that can accelerate the prediction of molecules and materials with desired properties.
- The researchers have created a framework that combines machine learning and physics-based models to rapidly explore the vast space of possible molecular and material compositions and structures.
- This approach allows for the identification of promising candidates for applications such as energy storage, catalysis, and drug discovery much more efficiently than traditional methods.

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