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 ...

The Data Science and Modeling for Green Chemistry award aims to recognize the research and development of computational tools that guide the design of sustainable chemical processes and the execution ...

LMU researcher Professor Alexander Urban and his team have developed a tool that could revolutionize the design of new materials. Synthesizer is a platform that combines automated chemical synthesis, ...

A rotating cylinder with its side cut away to expose the core, showing patches of purple, blue, green, yellow, and orange that are dense in the middle and more diffuse toward the edges. This rotating ...

Battelle has won a $9.8 million indefinite-delivery/indefinite-quantity contract from the U.S. Air Force to support computational and experimental chemistry and ...

SwRI researchers are expanding corrosion modeling software to predict if icy worlds such as Saturn’s moon Enceladus may be able to harbor microbial life. In this cross-polarized light microscope image ...