Quantum dynamics and semiclassical approaches constitute a vital area of contemporary research in molecular science, offering powerful tools to decipher the complex interplay between quantum effects ...

In a breakthrough, researchers at the University of Sydney have, for the first time, used a quantum computer to simulate the real-time chemical dynamics of actual molecules. This milestone marks a ...

For almost as long as Lawrence Livermore has existed, scientists have been experimenting with materials to learn what happens to them under high pressure. In the brief instant of a high-explosive ...

The 2024 Gordon Bell Prize goes to researchers led by the University of Melbourne for using the Frontier supercomputer to conduct a quantum molecular dynamics simulation 1,000 times greater in size ...

Researchers have made a meaningful advance in the simulation of molecular electron transfer -- a fundamental process underpinning countless physical, chemical and biological processes. The study ...

Scientists at the University of Chicago and partner institutions have demonstrated a new type of molecular qubit that operates at standard telecommunications wavelengths. The breakthrough could enable ...

During chemical reactions, atoms in the reacting substances break their bonds and re-arrange, forming different chemical products. This process entails the movement of both electrons (i.e., negatively ...