In a major step toward more reliable AI-assisted molecular design, researchers from National Taiwan University have ...

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

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comparison of the data on the molecular geometry obtained at the CISD/cc-pCVTZ level of theory with experimental data, and hole depth potential and electrostatic potential distributions for the ...

A team of scientists just discovered the longest organic molecules yet seen on Mars, the fourth planet from the Sun and and a tantalizing venue for humankind’s search for life beyond Earth.

From grade 9 to college, from organic to inorganic, finish and master your assignments faster and create numerous molecular structures with ease IMMERSIVE 3D VISUAL LEARNING: Explore chemistry in ...

(3) This project leveraged the expertise of molecular designers worldwide through crowdsourcing, while simulations, including free energy perturbation (FEP), guided the hit-to-lead and lead ...