CP2K is a widely used open-source package for atomic and molecular simulations, including AI training data. A new overview outlines its methods and scope. The CP2K package contains apps and algorithms ...

Machine Learning Potentials (MLPs) have revolutionized the field of atomistic simulations, since they allow to combine the accuracy of electronic structure calculations with the efficiency of ...

Researchers from Radical AI have published a paper describing TorchSim, a next-generation open-source atomistic simulation engine built entirely in PyTorch. By rewriting the core primitives of ...

Continuous downscaling of the critical dimensions in semiconductor devices is the cornerstone of technological revolution. As the technology nodes keep shrinking, innovations in fabrication ...

While the concept of quantum computing has been discussed for more than 40 years, only recently have experiments indicated that a practical quantum computer may be possible. Recent developments in ...

Keep learning. Excel in your career. Choose from more than 200 courses in seven different categories, taught by experts in the chemistry community, online and in person.

Design engineering is running headfirst into a materials bottleneck. Industries such as automotive, aerospace, electronics, and semiconductors now depend on increasingly complex materials. Yet ...