Purdue researchers have performed a complete atom-by-atom simulation of current passing through an experimental transistor in just 15 minutes using Jaguar, the world's second fastest computer. The ...

The simulation of quantum systems and the development of systems that can perform computations leveraging quantum mechanical ...

Most notably, the DeePMD method won the 2020 Gordon Bell supercomputing award for their 100 million-atom simulations, using the entire Summit machine. SNAP extended the scale to 20 billion atoms, ...

Topological quantum systems are physical systems exhibiting properties that depend on the overall connectivity of their ...

A second billion-atom simulation, meanwhile, was carried out by a team led by researcher Rommie Amaro at the University of California at San Diego.

New computer simulations that model every atom of a protein as it folds into its final three-dimensional form support the existence of a recently identified type of protein misfolding.

A single atom has performed the first full quantum simulations of how certain molecules react to light. The researchers who carried out the feat say that their minimalistic approach could ...

“This work is the first to demonstrate that deep learning can overcome this barrier and lead to a simulation system that approximates all-atom protein simulations without explicitly modeling solvent ...