Researchers have used artificial intelligence to predict dozens of previously unknown carbon crystal structures, including at ...

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 ...

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 ...

Fujitsu Limited and the Center for Quantum Information and Quantum Biology at The University of Osaka today announced the development of a new technology designed to accelerate the industrial ...

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 capable of turning sunlight into useful chemical energy. The work focuses ...

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 ...