May 23, 2019
Lavoisier Discussion on “Quantum Simulation"
LAVOISIER discussions on “Quantum Simulation” will be held from 8-9 of May 2019, in ICN2 (Bellaterra, Barcelona).
May 23, 2019
MaX Code Suite leads the innovative research for materials, modelling and simulation toward a new era
The principal MaX’s code suites are: Quantum Espresso, Fleur, Siesta, Yambo, CP2K, BIGDFT, Sirius and AiiDA.
May 23, 2019
One post-doctoral position open at EPFL, Lausanne, Switzerland
An outstanding candidate is sought with a background in the physical sciences (physics, chemistry,...
May 23, 2019
CECAM Summer School on Classical Molecular Dynamics for Material Science, Nanotechnology and Biophysics @ SISSA
DATE: June 10 - June 21 2019, Sissa-Trieste | Italy The School is primarily intended for undergraduate students in Physics or Chemistry who wish to become familiar with up-to-date Molecular Dynamics simulation techniques.
May 23, 2019
Many-body perturbation theory calculations using the Yambo code
A paper describing the developments in the Yambo code over the last ten years has just been published in the Journal of Physics: Condensed Matter .
May 23, 2019
QUANTUM ESPRESSO V.6.4.1
Check GitHub and GitLab for the 6.4.1 version of Quantum ESPRESSO. Download now!
May 23, 2019
Pathways for EOSC-hub and MaX collaboration
On 10-12 April 2019 at the Vienna House Diplomat in Prague, Czech Republic, the 2nd EOSC-hub Week 2019 will bring together both present and future service providers and users of the European Open Science Cloud. Stronger involvement from the High-Performance Computing Centers of Excellence (HPC CoE) will be sought through interactive sessions dedicated session entitled “The HPC Centers of Excellence in the EOSC arena”
May 23, 2019
EuroMPI 2019: Call for Papers
The EuroMPI conference is since 1994 the preeminent meeting for users, developers and researchers...
May 23, 2019
MaX CoE Cooperation on EOSC-hub Week 2019
The Materials design at eXascale (MaX) is one of the High-Performance Computing Centers of...
May 23, 2019
Quantum ESPRESSO an integrated suite of Open-Source computer codes
Learn more of one of the MaX 's flagship code - the Quantum Espresso (QE) .
May 23, 2019
MaX @ the Graphene Week 2019
MaX will participate at the Graphene Week 2019 in Helsinki on23-27 September 2019. Find out more.
May 23, 2019
HPC for Industry 4.0
A 3-days workshop aims to present the state-of-the-art of Industry 4.0 technologies, in particular, presenting methods and techniques that might be used to transform a manufacturing plant into a plant 4.0. Cineca , one of MaX partner, organizes the “HPC for Industry 4.0” workshop , which will be held on 21-23 May in Milan in partnership with PRACE and HPC-Europa3 .
May 17, 2019
Codes at MaX
M A X focuses on selected flagship codes (click on the logos below for more info) : widely-used...
May 16, 2019
Stefano Baroni
SISSA, A-408 (main building West), via Bonomea 265, 34136 Trieste - Italy
May 14, 2019
Value Proposition
MaX directly addresses the main challenges faced by scientific code groups: ● The successful...
May 14, 2019
Goals
Our goals are achieved by: bringing the most successful and widely used open-source, community...
May 8, 2019
BigDFT
BigDFT is an electronic structure pseudopotential code that employs Daubechies wavelets as a computational basis, designed for usage on massively parallel architectures. It features high-precision cubic-scaling DFT functionalities enabling treatment of molecular, slab-like as well as extended systems, and efficiently supports hardware accelerators such as GPUs since 2009.
May 8, 2019
CP2K
CP2K is a quantum chemistry and solid state physics software package that can perform atomistic simulations of solid state, liquid, molecular, periodic, material, crystal, and biological systems. CP2K provides a general framework for different modeling methods such as DFT using the mixed Gaussian and plane waves approaches GPW and GAPW. Supported theory levels include - among the many - DFTB, LDA, RPA, semi-empirical methods and classical force fields.
May 8, 2019
AiiDA
AiiDA is a Python materials informatics framework to manage, store, share, and disseminate the workload of high-throughput computational efforts, while providing an ecosystem for materials simulations where codes are automatically optimised on the relevant hardware platforms, and complex scientific workflows involving different codes and datasets can be seamlessly implemented and shared.