Researchers at Kumamoto University, in collaboration with colleagues in South Korea and Taiwan, have discovered that a unique ...

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 ...

A view inside the trapped-ion quantum computer that carried out a first-of-its-kind simulation of molecular chemistry. A single atom has performed the first full quantum simulations of how certain ...

Atoms never stay still. Even in their lowest energy state, they vibrate due to quantum effects. Now, for the first time, scientists have directly observed this jittery movement in a complex ...

Achieving state-of-the-art accuracy in molecular property prediction using self-supervised AI, enabling cost-effective modeling based on electron-level information without quantum calculations ...

Molecular dynamics simulations have become indispensable for elucidating the microscopic details of water and its hydrogen bond network. These computational methods enable the characterisation of ...

Large language models are powering a new generation of AI agents that could transform computational chemistry from a ...

Boston startup – known for pioneering quantum chemistry reformulations to simulate complex drug-protein interactions at a subatomic level with high precision and 1000x faster – raises financing and ...

What if the key to solving humanity’s most complex challenges, curing diseases, creating sustainable energy, or even unraveling the mysteries of the universe, was hidden in the quantum realm? With its ...

In a Columbia University laboratory in New York, physicist Sebastian Will and his team have reached one of ultracold physics’ ...

The computing world stands at a historic inflection point. Compute demand for frontier AI is expected to grow 1,000 times over the next four to five years. Classical compute is hitting thermal, energy ...