Our CSM research includes static and dynamic analyses of complex solid bodies using computational approaches such as finite volume, finite element, discrete element, and meshless methods. The focus of ...

Electron density prediction for a four-million-atom aluminum system using machine learning, deemed to be infeasible using traditional DFT method. × Researchers from Michigan Tech and the University of ...

The arrangement of electrons in matter, known as the electronic structure, plays a crucial role in fundamental but also applied research such as drug design and energy storage. However, the lack of a ...

Scientists have developed a powerful new computational method that could accelerate the search for next-generation materials ...

Matthew Addicoat receives funding from EPSRC and the Royal Society. Using computers to carry out protein design and for predicting protein structures are two sides of the same coin. They are ...

Leveraging AI and quantum calculations, scientists developed a new tool that yielded higher-quality structural information ...