Computational Chemistry is the study of complex chemical problems using a combination of computer simulations, chemistry theory and information science. Also called cheminformatics, this field enables ...

Computational chemistry and molecular modeling form the backbone of modern theoretical and applied chemical science. These fields utilise advanced quantum mechanical methods and simulation techniques ...

In this free webinar, see how an ecosystem-driven, AI-enabled electronic lab notebook (ELN) supports real-world, end-to-end scientific workflows. The featured speaker will share how scientific teams ...

COSMIC (molecular conformation space modeling in internal coordinates) can provide important insights into the 3D positioning and activity of molecules to help drive decisions about drug design. While ...

What: SETI Institute Artists-in-Residence present Exoplanetary Poetry, an art-science collaboration that trains artificial intelligence on exoplanet atmospheric chemi ...

IIIF provides researchers rich metadata and media viewing options for comparison of works across cultural heritage collections. Visit the IIIF page to learn more. Auguste Lawrence Pouleur (1877-1947), ...

A molecular model shows two macrocycles interlocked like links in a chain, with additional atoms attached on the side of one ring. This conceptual version of the catenane made by Michael Kathan and ...

The last few decades have witnessed a rapid development in the field of computational chemistry which is now a firmly established and rapidly growing field of chemistry. It has developed into an ...