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 30, 2024
MaX Newsletter #3 - Enabling frontier HPC in the materials domain
Welcome to our September update: MaX Newsletter #3 Enjoy reading this third edition where we have...
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...
August 28, 2024
MaX Newsletter #2 - Enabling frontier HPC in the materials domain
Welcome to our August update: MaX Newsletter #2 Enjoy reading this month's issue packed with: 1) An...
August 8, 2024
Computing spectral and thermodynamic properties of correlated materials via dynamical functionals
A team of researchers proposes a novel approach for the computation of spectral and thermodynamic properties of correlated materials via dynamical functionals.
July 31, 2024
MaX Newsletter moves to LinkedIn
As MaX enters its third phase, we are pleased to announce that our Newsletter has now transitioned...
July 30, 2024
MaX Workshop 2024: focus on benchmarking and deployment
Open workshop to discuss WP advances and critical topics.
July 30, 2024
Energies and spectra of solids from the algorithmic inversion of localized GW
T. Chiarotti, A. Ferretti, and N. Marzari
July 25, 2024
Coherent Excitonic State detected in the Layered Semiconductor BiI3
A team of researchers identifies the signature of excitonic coherence in the layered semiconductor BiI3 by combining ab initio real-time simulations and time-resolved experiments.
July 24, 2024
MaX Newsletter #1 - Enabling frontier HPC in the materials domain
Welcome to our July update: MaX Newsletter #1 Enjoy reading this first newsletter edition where we...