We present a real-time ab initio description of optical orientation in bulk GaAs due to the...
This webinar will introduce the all-electron code FLEUR and its recent enhancements in the context of the MaX CoE. Besides the fundamentals of the theory and the method we will also report on some very large simulation now becoming possible and we will give hints and instructions for efficient usage and deployment of the code.
Daniel Wortmann started his scientific work using the FLEUR code in the last century and is very...
Uliana Alekseeva is one of the main developers of the FLEUR code. After obtaining her PhD from RWTH...
Gregor Michalicek is one of the main developers of the Fleur code at the Forschungszentrum Jülich...
This webinar will introduce the all-electron code FLEUR and its recent enhancements in the context of the MaX CoE. Besides the fundamentals of the theory and the method we will also report on some very large simulation now becoming possible and we will give hints and instructions for efficient usage and deployment of the code.
The 5th webinar of the MaX series on Flagship codes entitled " New developments in SIESTA for high-...
As an important step forward within the national and international HPC ecosystem, and in strong synergy with the MaX Centre of excellence, CNR-NANO participates in SUPER (Supercomputing Unified Platform - Emilia-Romagna), an Emilia-Romagna POR-FESR 2014-2020 regional funded project.
L. Talirz, .l Kumbhar, E. Passaro, A. V. Yakutovich, V. Granata, F. Gargiulo, M. Borelli, M. Uhrin...
S. P. Huber, S. Zoupanos, M. Uhrin, L. Talirz, L. Kahle, R. Häuselmann, D. Gresch, T. Müller, A. V...
Antiferromagnetically coupled magnetic skyrmions are considered ideal candidates for high-density...
The latest issue of Nature group’s Scientific Data journal features papers on the Materials Cloud...
The ever-growing availability of computing power and the sustained development of advanced...
Materials Cloud is a platform designed to enable open and seamless sharing of resources for...
Electrosorption of solvated species at metal electrodes is a most fundamental class of processes in...
Bottom-up approaches exploiting on-surface synthesis reactions allow atomic-scale precision in the...
MaX (Materials design at Exascale) is the European HPC Center of Excellence that aims to disenthral...
The fifth Webinar of a series presenting the most recent developments of the MaX flagship codes...
Nick Papior is a HPC specialist at the Technical University of Denmark under the DTU Computing...
Emilio Artacho leads the Theory group at Nanogune (San Sebastian, Spain) and is Professor in the...
Mónica García-Mota is the Scientific Director at SIMUNE. She designs and supervises the execution...
This webinar highlighted the performance enhancements and new features recently added to SIESTA within the MaX project, one of its flagship codes. These enhancesments include the use of a finite-support atomic-orbital basis set extended to leading-edge HPC systems by new solver options, and its built-in subsystem for electronic transport (TranSIESTA), which has undergone a major redesign for increased performance and functionality.