The fields of computational chemistry and molecular spectroscopy have converged to form a robust framework for investigating molecular structures, properties and reactivity. Advanced quantum ...

Advanced computational software is streamlining quantum chemistry research by automating many of the processes of running molecular simulations. The complicated design of these software packages, ...

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 ...

Chemists at UCLA are showing that some of organic chemistry’s most famous “rules” aren’t as unbreakable as once thought. By ...

As soon as you enter Schrödinger’s headquarters, on the 24th floor of a building in New York City’s Times Square, the company’s association with chemistry and physics is evident. Rooms are named after ...

Tropical disease drug discovery is an interdisciplinary field at the intersection of medicinal chemistry, computational biology, and global health. Despite ...

The Computational Chemistry Days are the main annual event of computational chemists and materials scientists in Finland. The event has a well-established tradition, and serves the purpose of bringing ...

Our department offers doctorate opportunities in a range of traditional research areas, including analytical, inorganic, organic, and physical chemistry, as well as biochemistry. Within these areas, ...

The researchers hope that their pioneering work to democratize computational chemistry research will inspire similar initiatives across the natural sciences. Credit: Liu Group The researchers hope ...