Using advanced computer modeling, researchers at the U.S. Department of Energy's Argonne National Laboratory have developed a way to accurately predict the behavior of devices called molecular qubits.

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 ...

Computational modeling and simulation of nanomaterials strongly complement physical experiments. They enable the prediction of characteristics and processes under conditions difficult to replicate or ...

A qubit is the delicate, information-processing heart of a quantum device. In the coming decades, advances in quantum information are expected to give us computers with new, powerful capabilities and ...

In human cells, there are about 20,000 genes on a two-meter DNA strand—finely coiled up in a nucleus about 10 micrometers in diameter. By comparison, this corresponds to a 40-kilometer thread packed ...

Researchers from the Massachusetts Institute of Technology (MIT) Jameel Clinic for Machine Learning in Health have announced the open-source release of Boltz-2, which now predicts molecular binding ...

A research team from the University of Chinese Academy of Sciences has revealed the failure mechanism of diamond under extreme electrical fields through in situ experiments and molecular dynamics ...

The investigations of KIT researchers have shown that biomolecular condensates enable fast yet reliable activation of the right genes. “Biomolecular condensates are tiny drops that form in specific ...