Computational Chemistry is the study of complex chemical problems using a combination of computer simulations, chemistry theory and information science. Also called cheminformatics, this field enables ...

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 ...

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 ...

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 ...

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 ...

A computer simulation or a computer model is a computer program that attempts to simulate an abstract model of a particular system. Computer simulations have become a useful part of mathematical ...

Wax is made of carbon and hydrogen atoms bonded together in long chains. The chains are tangled, intertwined, and packed together to make the wax. Water molecules are packed more closely together than ...

We present a novel augmented reality (AR) framework to show relevant information about swarm dynamics to a user in the absence of markers by using blinking frequency to distinguish between groups in ...

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 ...

Learn about the importance of quantum chemistry in targeting mutant proteins effectively in drug discovery for ...