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 ...

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

The temperature of a substance is the average of the different kinetic energies of its atoms or molecules. To Use the “Temperature” Simulation: From the Title Screen, click the “Play” arrow. Then ...

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 ...

Researchers swap nitrogen and boron into DNA to create analogues that are geometrically and electrostatically equivalent to ...