The second meeting of the MaX Centre of Excellence-phase 3 project took place in Barcelona on 16-17 October, hosted by the Catalan Institute of Nanoscience and Nanotechnology (ICN2). The partners reported on the status of ongoing activities in each work package of the project and discussed future steps.
Forschungszentrum Jülich will be home to Europe’s first exascale computer - called JUPITER. The supercomputer is set to be the first in Europe to surpass the threshold of one trillion calculations per second.
E. B. Linscott, N. Colonna, R. De Genanro, N. L. Nguyen, G. Borghi, and A. Ferretti
I. Carnimeo, F. Affinito, S. Baroni, O. Baseggio, L. Bellentani, R. Bertossa, P. D. Delugas, F...
P. Delugas, O. Baseggio, I. Timrov, S. Baroni, and T. Gorni
P. Pegolo, S. Baroni, and F. Grasselli
Explore the theoretical foundations and practical applications of this versatile simulation tool in material science.
MaX partners will meet in Barcelona at Casa Convalecencia, hosted by ICN2, for 2 full days of updates, discussions, and plans for the advancement of the project.
Dario A. Leon, Andrea Ferretti, Daniele Varsano, Elisa Molinari, and Claudia Cardoso
MaX partners will meet in Barcelona @ Casa de la Convalecencia, hosted by ICN2 , for 2 full days of...
A significant step has been taken towards high-throughput computational screening for the discovery...
M. Zanfrognini, M. Bonacci, F. Paleari, E. Molinari, A. Ruini, A. Ferretti, M. J. Caldas, and D...
M. G. Betti a, D. Marchiani, A. Tonelli, M. Sbroscia, E. Blundo, M. De Luca, A. Polimeni, R...
MaX joins this advanced MPI/OpenMP course, organized by NCC Netherlands in collaboration with PRACE...
A paper recently published in the Royal Society Open Science journal discusses the advantages of implementing a modular approach in electronic structure simulation software and demonstrates the increased efficiency of SIESTA, a lighthouse code of the MaX Centre of Excellence that in recent years has been redesigned according to this principle.
M. Bonacci, J. Qiao, N. Spallanzani, A. Marrazzo, G. Pizzi, E. Molinari, D. Varsano, A. Ferretti,...
MaX partners are attending the ICTP "Workshop on Frontiers in Excited State Electronic Structure...
SIESTA [1,2] is a multipurpose density-functional code able to perform efficient electronic...
Density functional theory (DFT) is nowadays the main tool for computational modeling of realistic...
Density functional theory (DFT) is the de facto standard for the ab-initio prediction of ground-...
I. V. Lebedeva, A. García, E. Artacho, and P. Ordejón
On Friday April 28 at 2pm CEST, Alberto Guandalini from the University of Rome La Sapienza will...