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...
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 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 12, 2024
Detection of a coherent excitonic state in the layered semiconductor BiI3
V. Gosetti, J. Cervantes-Villanueva, D. Sangalli, A. Molina-Sánchez, V. F. Agekyan, C. Giannetti, L...
July 12, 2024
Unearthing the foundational role of anharmonicity in heat transport in glasses
A. Fiorentino, E. Drigo, S. Baroni, and P. Pegolo
July 12, 2024
Excitons in layered BiI3: Effects of dimensionality and crystal anisotropy
J. Cervantes-Villanueva, F. Paleari, A. García-Cristóbal, D. Sangalli, A. Molina-Sánchez
July 11, 2024
Theoretical Analysis of Electronic and Optical Properties in Bulk and Monolayer BiI3 for Optoelectronic Applications
A team of researchers proposes a detailed theoretical study of the electronic and optical properties of bulk and monolayer bismuth triiodide (BiI3) including the effects of spin-orbit coupling and semi-core states.
July 8, 2024
MaX presented at R2B - Research to Business
MaX participates at R2B, the International Exhibition of Research and High Skills for Innovation.
July 4, 2024
MaX sponsoring “Artificial Intelligence for Advanced Materials 2024” (AI4AM2024)
AI4AM2024 brought together experts from industry and research to share solutions in applying Artificial Intelligence for materials science and engineering.
June 26, 2024
MaX at “We Make Future”
MaX participated at the 2024 International Trade Fair and Festival on Innovation “We Make Future”.
June 25, 2024
New Software Release: SIESTA 5.0
MaX lighthouse code SIESTA releases its 5.0 software version.
June 11, 2024
New implementation for GW self-energy evaluation
Researchers combine MPA and W-av methods into an integrated approach, leading to an improvement both in terms of accuracy and speed-up of the GW self-energy evaluation.