Electronic structure as a research area focuses on the quantum-mechanical description of electrons in atoms, molecules, solids, and nanostructures, and on how this governs their structural, ...

Zooming in: Google’s Sycamore processor. (Courtesy: Erik Lucero/Google) Simulating chemical processes is one of the most promising applications of quantum computers, but problems with noise have ...

Over the past 20 years, first-principles simulations have become powerful, widely used tools in many, diverse fields of science and engineering. From nanotechnology to planetary science, from ...

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 ...