The new capability lets scientists simulate and visually inspect automated experiments before robots run them.

Computational chemistry generally tries to reproduce experimental reality, but a new study suggests that in the future, the situation may be reversed. The study is one of the first to meet a ...

explosion and the shattering glass don’t distress her. She simply clicks her computer mouse a few times and starts over. Ms. Ellison’s laboratory section relies on computer simulations, rather than on ...

Online students at Oregon State University will soon be able to perform lab experiments virtually, thanks to a new project with adaptive learning and instructional design company Smart Sparrow. The ...

For almost as long as Lawrence Livermore has existed, scientists have been experimenting with materials to learn what happens to them under high pressure. In the brief instant of a high-explosive ...

A new trick for modeling molecules with quantum accuracy takes a step toward revealing the equation at the center of a popular simulation approach, which is used in fundamental chemistry and materials ...