February 16, 2023
SiPearl
SiPearl SiPearl is the European Company designing, producing and selling the first HPC...
February 16, 2023
ATOS
ATOS ATOS brings expertise in designing, building, testing, and deploying pre-exascale and exascale...
February 16, 2023
IJS: Jožef Stefan Institute
Jožef Stefan Institute IJS (Jožef Stefan Institute) is the leading Slovenian scientific research...
February 16, 2023
IT4I: IT4Innovations National Supercomputing Center
IT4Innovations National Supercomputing Center IT4I@VSB will lead WP4. There, it will bring the...
February 16, 2023
Forschungszentrum Jülich
Forschungszentrum Jülich FZJ has a two-fold role within the consortium. On the one hand, the group...
February 16, 2023
Universität Bremen
Universität Bremen UBREMEN brings to the consortium a strong scientific expertise in the...
January 23, 2023
CINECA & ADMIRE's event on SPACK
CINECA&ADMIRE's event on SPACK ( https://spack.io ), on February 13 th (full day) and 14 th (...
January 13, 2023
MaX 2018-2021
The MaX project (H2020 grant agreement n. 824143) finished on September 30, 2022. Former Partners...
January 13, 2023
21st International Workshop on Computational Physics and Materials Science: Total Energy and Force Methods
MaX partners are attending the " 21st International Workshop on Computational Physics and Materials...
December 23, 2022
MaX Kick-off Meeting | February 21 and 22, 2023 | Modena (IT)
A new MaX is starting Let us meet on February 21 and 22 in Modena (IT) to officially start working...
December 21, 2022
Kick-off Meeting February 2023
A new era of MaX is starting. MaX Kick-off meeting will be held soon in the AGO Modena Fabbriche...
December 14, 2022
First report on software architecture and implementation plan Re-submitted version
October 6, 2022
Efficient materials modelling on HPC with QUANTUM ESPRESSO, Yambo and BigDFT
In recent years, computing technologies underlying materials modelling and electronic structure...
September 30, 2022
Multiscale modeling strategy to solve fullerene formation mystery
A. M. Popov, I. V. Lebedeva, S. A. Vyrko, and N. A. Poklonski
September 30, 2022
Developing a Neural Network potential to investigate interface phenomena in solid-phase epitaxy
R. Lot, L. Martin-Samos, S. De Gironcoli, and A. Hemeryck
September 30, 2022
Structural and magnetic phase diagram of epitaxial La0.7Sr0.3MnO3from first principles
J. Pilo, M. Pruneda, and N. C. Bristowe
September 30, 2022
Measuring shared electrons in extended molecular systems: Covalent bonds from plane-wave representation of wave function
G. La Penna, D. Tiana, and P. Giannozzi
September 30, 2022
Unsupervised Learning Methods for Molecular Simulation Data
A. Glielmo, B. E. Husic, A. Rodriguez, C. Clementi, F. Noé, and A. Laio
September 30, 2022
Virtual Computational Chemistry Teaching Laboratories—Hands-On at a Distance
R. Kobayashi, T.P.M. Goumans, N. Ole Carstensen, T. Soini, N. Marzari, I. Timrov, S. Poncé, E. B...
September 30, 2022
QEHeat: An open-source energy flux calculator for the computation of heat-transport coefficients from first principles
A. Marcolongo, R. Bertossa, D. Tisi, and S. Baroni