A web platform uses a chatbot to enable any chemist -- including undergraduate chemistry majors -- to configure and execute complex quantum mechanical simulations through chatting.

A study published in Nature Communications shows that it is possible to identify drug molecules by modeling them using ...

Model allowed researchers to better understand the complex molecular mechanisms that determine the robustness, flexibility, ...

For the alternating spin chain model, the researchers used so-called Clar's goblets as their starting material, hourglass-shaped nanographene molecules consisting of eleven carbon rings.