Emily Ann Carter is an acknowledged pioneer in the development and application of computational chemistry methods within the fields of surface and materials science. Among her significant ...

Congratulations to the past recipients of the ACS Award for Computers in Chemical and Pharmaceutical Research, which recognizes and encourages the use of computers in the advancement of the chemical ...

The computational description of a biological molecule, frozen in a single snapshot, is complicated enough, but to describe its flexibility and interactions with other molecules is a task that until ...