October 28, 2024
Modeling of (nano)materials with Quantum ESPRESSO
Organized by MaX, IJS, SISSA, in collaboration with NCC Croatia, within the framework of the “Croatian HPC Competence Center Day”.
October 28, 2024
Highlights from the Second EuroHPC User Day
An immersive experience, featuring plenaries and parallel sessions, as well as special sessions for users where to discuss best practices, challenges, and the evolving needs of the HPC community.
October 25, 2024
Just released! Performance & Scalability of MaX lighthouse codes
MaX released its Performance and Scalability brochure, gathering the latest results of the MaX lighthouse codes in achieving outstanding performance and scaling on different types of EuroHPC architectures.
October 24, 2024
Performance and Scalability of MaX lighthouse codes
Explore the main features of the MaX lighthouse codes. Download a copy!
October 9, 2024
Thermal transport of glasses via machine learning driven simulations
P. Pegolo and F. Grasselli
October 9, 2024
Quantum ESPRESSO towards performance portability: GPU offload with OpenMP
F. Ferrari Ruffino, L. Bellentani, G. Rossi, F. Affinito, S. Baroni, O. Baseggio, P. Delugas, P...
October 8, 2024
Advancing heat transport theory and numerical simulations in glasses
A team of researchers explores the influence of the infrared singularity in the harmonic theory of heat conduction in glassy materials and explains the nuanced effectiveness of the Allen-Feldman theory.
October 7, 2024
Co-designing ab initio electronic structure methods on a RISC-V vector architecture
R. Grima Torres, P. Vizcaíno, F. Mantovani, and J. J. Gutiérrez Moreno
October 7, 2024
Ab initio quasi-harmonic thermoelasticity of molybdenum at high temperature and pressure
X. Gong and A. Del Corso
October 7, 2024
Pressure and temperature dependent ab-initio quasi-harmonic thermoelastic properties of tungsten
X. Gong and A. Del Corso
October 7, 2024
Evidence of ferroelectric features in low-density supercooled water from ab initio deep neural-network simulations
C. Malosso, N. Manko, M. G. Izzo, S. Baroni, and A. Hassanali
October 7, 2024
Seebeck Coefficient of Ionic Conductors from Bayesian Regression Analysis
E. Drigo, S. Baroni, and P. Pegolo
October 3, 2024
Deployments
MaX applications on EuroHPC supercomputers MaX lighthouse codes –Quantum ESPRESSO, YAMBO, SIESTA,...
October 3, 2024
SIESTA School 2024
Sponsored by the Barcelona Supercomputing Center (BSC) and the MaX Centre of Excellence, the SIESTA school is targeted at students and researchers from different disciplines who already use, or plan to use, first-principles techniques to simulate properties of matter at the atomic scale.
September 25, 2024
MaX sponsoring the 11th International Conference on Multiscale Materials Modeling (MMM-11)
A unique opportunity to exchange latest advancements on interdisciplinary research fields in materials science and engineering.
September 25, 2024
Many Cores, Many Models: GPU Programming Model vs. Vendor Compatibility Overview
A. Herten
September 25, 2024
Predicting potential SARS-CoV-2 mutations of concern via full quantum mechanical modelling
M. Zaccaria, L. Genovese, B. E. Lawhorn, W. Dawson,A. S. Joyal, J. Hu , P. Autissier, T. Nakajima,...
September 9, 2024
110° Congresso SIF
Held in Bologna, Italy, between 9-13 September 2024, the 110th National Congress of the Italian Physical Society gathers international guests and speakers to talk about the latest research on particle physics, materials science, and quantum science among others.
September 4, 2024
3rd Nanotech-Eurasia
A platform for scientists to foster interconnectivity among emerging research fields .
September 3, 2024
NVIDIA Developers Summit on Atomistic Simulation
Promoting a collaborative environment, knowledge sharing, and innovation through meaningful discussions that will shape the future of atomistic simulation.
August 30, 2024
Efficient GW calculations via interpolation of the screened interaction in momentum and frequency space: The case of graphene
A. Guandalini, D. A. Leon, P. D'Amico, C. Cardoso, A. Ferretti, M. Rontani, and D. Varsano
August 30, 2024
Inhibitory behaviour and adsorption stability of benzothiazole derivatives as corrosion inhibitors towards galvanised steel
Q. Deng, J. M. Castillo-Robles, E. de Freitas Martins, P. Ordejón, J.-N. Gorges, P. Eiden, X.-B...