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 ...

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.

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 ...

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 ...

If quantum computing is going to become an every-day reality, we need better superconducting thin films, the hardware that enables storage and processing of quantum information. Too often, these thin ...

A recent study carried out my a group from MIT has introduced MDGen, a generative modeling approach for molecular dynamics ...

A new open-source model of brain metabolism, developed by scientists at École Polytechnique Fédérale de Lausanne (EPFL), has shown how altering key chemicals could restore aged cells to their youthful ...

Design what’s next. From targeted drug delivery to climate-resilient plants, the power to shape the future relies on the ability to design and evaluate at the molecular level. Our interdisciplinary ...

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 ...