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 ...

In an IBM lab in Yorktown Heights, N.Y., a circuit board sits at the bottom of a large tub cooled to temperatures colder than those of outer space. Shiny, solderlike zigzags of niobium cover the board ...

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 ...

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 ...

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 ...

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 ...

Steve Fredette hails from a rural community in central Massachusetts that’s best known to me as home of a nice skiing area called Mount Wachusett. But that has not stopped Fredette from leaving town, ...

NEW YORK -- 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), ...

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 ...