22 September

New developments in SIESTA for high-performance materials simulations


MaX webinars - The fifth of a series presenting the most recent developments of the MaX flagship codes.

In this webinar we will highlight the performance enhancements and new features recently added to SIESTA within the MaX project, one of its flagship codes. The traditional high efficiency of the programme, stemming from its use of a finite-support atomic-orbital basis set, has been extended to leading-edge HPC systems by new solver options while its built-in subsystem for electronic transport (TranSIESTA), has undergone a major redesign for increased performance and functionality. 

ICN2 Involved researcher: Prof. Pablo Ordejón Director and Theory and Simulation Group leader at ICN2 - "Overview of the TranSIESTA module for transport simulations", Invited Speaker

More Information