With advanced simulations, scientists at Argonne, UChicago have created a way to predict and engineer new properties for quantum tech ...

A research team at the Jülich Supercomputing Center, together with experts from NVIDIA, has set a new record in quantum ...

Researchers have implemented a quantum-based method to observe a quantum effect in the way light-absorbing molecules interact with incoming photons. Known as a conical intersection, the effect puts ...

The algorithms could also benefit AI by generating large, diverse datasets to train models or by enabling quantum-enhanced ...

As the capabilities of generative AI models have grown, you've probably seen how they can transform simple text prompts into hyperrealistic images and even extended video clips. More recently, ...

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 ...

Quantum computers have the potential to model new molecules and weather patterns better than any computer today. They may ...

The chains of amino acids that make up proteins are critical to every form of life. The complex ways that these proteins fold ...

"This is a completely novel chemical entity that was not found in nature," says Mike Varney, a computational chemist at San Diego-based Agouron. "It is not a biotechnology product. It is not a product ...

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 ...