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 ...

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 ...

A new trick for modeling molecules with quantum accuracy takes a step toward revealing the equation at the center of a popular simulation approach, which is used in fundamental chemistry and materials ...

Why does water roll off a duck's back but spread on clean glass? For macroscopic (millimeter-scale) drops, this behavior can ...

Artificial intelligence tools are transforming catalyst research, with new AI agents capable of completing in minutes what ...

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 ...

Molten carbon can form into either diamond or graphite. A new study shows how graphite can sometimes form even under conditions that should lead to diamond. (Getty Images) The graphite found in your ...

Google has used its record-breaking quantum computer to complete the biggest quantum chemistry simulation ever, modelling the behaviour of a long chain of hydrogen atoms. The simulation of large ...