In a new report now featured on the cover page of and published in Science Advances, Hans Hon Sang Chan and a research team in materials, chemistry and quantum photonics at the University of Oxford ...

Searching for new substances and developing new techniques in the chemical industry: tasks that are often accelerated using computer simulations of molecules or reactions. But even supercomputers ...

The flu virus kills hundreds of thousands of people each year, but few effective drugs exist to treat it. Computational chemists have now modeled the entire virus and its surroundings in one of the ...

Researchers at Chalmers University in Sweden have used a quantum computer to simulate a chemical reaction. Quantum chemistry is often modelled using supercomputers, which apply the laws of quantum ...

Molecular dynamics (MD) simulations constitute a cornerstone of theoretical chemistry, enabling the atomistic investigation of molecular structure, dynamics and reactivity. By numerically integrating ...

SandboxAQ has announced the acquisition of Good Chemistry, a prominent computational chemistry firm that uses quantum computing, artificial intelligence (AI), and other cutting-edge technologies to ...

When researchers at Google announced last fall that they had achieved “quantum superiority”—a point at which a quantum computer can perform a task beyond the reach of regular computers—some people ...

Biologists would love to know exactly what happens inside a cell, but measuring every cellular process simultaneously is impossible. That’s why they turn to simulations, like this one, which tracks ...