The team used the experimental setup to explore several informative scenarios for 2D and 3D simulations of one- and two-electron systems. They selected two key areas of interest in chemistry ...

New theory offers insights into the origin of the very low and negative thermal expansion observed in cordierite ...

Videos, illustrations, and information about the first 20 elements of the periodic table. *Part of Lesson 4.2 ...

Chemistry moves from in-person lab and the classroom to the computer, as working in a virtual chemistry laboratory and viewing simulations provide additional ways of learning chemistry. Each ...

Researchers led by Jin-Long Yang are developing code that is moving the scope of precise atomic-level quantum chemistry simulations up to a few hundred thousand atoms, making it possible to ...

Shocks, cosmic rays and x-rays seem to ionise and fragment saturated molecules via mechanisms that result in structures with ...

Researchers have found new ways to use cloud computing to accelerate computational chemistry, including quantum and AI-based applications.

Biology has yet to tap into the full benefits of computer simulations, but a new AI foundation model developed by a team of scientists including CMU's Eric Xing hopes to change that.

Researchers used ab initio molecular dynamics simulations to identify how Ni ... are published in the journal ACS Earth and Space Chemistry. Carbonation of silicate minerals like forsterite ...