BigDFT webinar in the MaX Centre Webinar of Flagship Codes series
In this webinar, titled “Flexibilities of Wavelets for Electronic [...]
Paper “Flexibilities of wavelets as a computational basis set for large-scale electronic structure calculations” published by Laura Ratcliff et al. in The Journal of Chemical Physics
The BigDFT project was started in 2005 with the aim [...]
Granted 15 million CPU hours on Joliot-Curie supercomputer to search inhibitors of COVID-19
Researchers from the Grenoble Interdisciplinary Research Institute (IRIG) and the [...]
Paper “Complexity Reduction in Density Functional Theory Calculations of Large Systems: System Partitioning and Fragment Embedding” published by William Dawson et al. in Journal of Chemical Theory and Computation
With the development of low order scaling methods for performing [...]
Awarded the MaX Centre for Materials design at the Exascale (MaX-2) EU HPC Center of Excellence
MaX is a user-focused, problem-oriented European Centre of Excellence (call [...]
GPU-accelerated BigDFT available in NVIDIA NGC Catalog
The GPU-accelerated BigDFT container is now available for download from [...]
