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Why quantum chemistry?

Quantum chemistry is well-suited for modeling new molecules because it provides a theoretical framework to describe and understand the behavior of atoms and molecules at the quantum level.

Quantum Chemistry software example

Predictive power of Xatoms

Quantum chemistry allows researchers to predict the properties of new molecules before they are synthesized. This can save time and resources, as it helps narrow down the list of potential candidates for experimental study. It can also guide experimentalists in designing molecules with desired properties or functionalities.

Computational Methods

Advances in computational methods and algorithms in quantum chemistry have made it possible to study larger and more complex molecular systems than ever before. By speeding the process with AI enables us at Xatoms to explore a vast chemical space and discover new photocatalytic molecules with unique properties and applications.

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