Scientists have used computing power and clever modeling to solve a 200-year-old chemistry and math puzzle. For all these years, the question at play has been how to plot the electron structure of a ...

Obtaining a solution to the many-electron Schrödinger equation stands as one of the grand challenges in chemistry and physics. Highly accurate solutions are achievable for relatively small systems ...

Researchers have created a topological insulator that keeps its quantum properties stable even at higher temperatures, ...

Electron diffraction is a powerful analytical technique used to study the atomic structure of materials. It involves the interaction of a beam of electrons with a crystalline sample, resulting in a ...

Another Density Function analysis of LK-99 proposed room-temperature superconductor by researchers at Northwest University in China and Tu Wien Austria Physics Institute. They think superconductivity ...

Electron density prediction for a four-million-atom aluminum system using machine learning, deemed to be infeasible using traditional DFT method. × Researchers from Michigan Tech and the University of ...

Plutonium has captured the attention of scientists since its discovery in the early 1940s. This enigmatic element has an important role to play in emerging energy technologies like nuclear batteries ...

Cryo-electron microscopy has exposed the structure of a bacterial virus with unprecedented detail. This is the first structure of a virus able to infect Staphylococcus epidermidis, and high-resolution ...