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 ...

A Brigham Young University faculty member has found a way for students to get hands-on chemistry experience without actually putting their hands on any chemicals. The students work with computer ...

A new software tool promises to aid scientists whose research has forced them to lead double lives -- as computer programmers. The tool, called the Tensor Contraction Engine (TCE), automatically ...

On Wednesday, the Nobel Committee announced that it had awarded the Nobel Prize in chemistry to researchers who pioneered major breakthroughs in computational chemistry. These include two researchers ...

Computational tools are revolutionising Physical Chemistry research - find out how they can transform yours too! From sustainable code development and efficient data processing to writing ...

A diverse group of computational chemists is encouraging the research community to embrace a sustainable software ecosystem. That’s the message behind a recent perspective article published in the ...

ChemAxon announces Version 6 of their cheminformatics suite. This major software release introduces four new products: Marvin for JavaScript, Instant JChem Web Client, REST Web Services, and the ...

Automation is nothing new in chemistry. Robots can synthesize peptides, and they make high-throughput screening possible. A new setup takes this even further, combining software and hardware in an ...

Computational tools are revolutionising Physical Chemistry research - find out how they can transform yours too! From sustainable code development and efficient data processing to writing ...