When a molecule absorbs light, it undergoes a whirlwind of quantum-mechanical transformations. Electrons jump between energy ...

A quantum computer has used a single atom to model the complex dynamics of organic molecules interacting with light ...

demonstrates we can also model how those molecules change over time. We experimentally simulated how specific real molecules behave after absorbing light. We used what is called a trapped-ion quantum ...

Quantum tech breakthrough shows how real molecules react to light—opening doors to better drugs, solar cells, and more.

A single atom has performed the first full quantum simulations of how certain molecules react to light. The researchers who ...

Computer simulations help materials scientists and biochemists study the motion of macromolecules, advancing the development ...

Researchers have introduced DiffSMol, a generative AI model capable of generating realistic 3D structures of small molecules ...

Inspired by how DNA can pack massive quantities of information into tiny amounts of material, chemists have been working for ...

The chatbot communicates via natural language rather than computer code ... the dynamics of molecules in solution more fully." Rather than a large language model (LLM) chatbot, like ChatGPT ...

Our study, published this week in the Journal of the American Chemical Society, demonstrates we can also model ... of the molecules, we also used vibrations of the atoms in the computer called ...